 Entering Gaussian System, Link 0=g16
 Input=15_2carene_STD_M11-augccpVDZr.in
 Output=15_2carene_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/15_2carene_STD/Gau-12993.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/15_2carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     12995.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=15_2carene_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:40:37 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "15_2carene_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.539270000000     -0.435125000000     -0.935630000000
  C                                                 0.816364000000      0.968322000000     -0.450280000000
  C                                                -0.765594000000     -1.028594000000     -0.572480000000
  C                                                -1.800993000000     -0.297742000000     -0.156432000000
  C                                                -3.135413000000     -0.895562000000      0.168823000000
  C                                                -1.676641000000      1.202692000000     -0.021029000000
  C                                                -0.263208000000      1.653051000000      0.372514000000
  C                                                 1.636339000000     -0.186823000000      0.085468000000
  H                                                 0.893695000000     -0.691598000000     -1.929272000000
  H                                                 1.339746000000      1.614886000000     -1.144387000000
  H                                                -0.874831000000     -2.104823000000     -0.671160000000
  H                                                -3.148517000000     -1.971949000000     -0.004947000000
  H                                                -3.924099000000     -0.440411000000     -0.439321000000
  H                                                -3.404545000000     -0.711394000000      1.213967000000
  H                                                -2.397776000000      1.565713000000      0.716548000000
  H                                                -1.964396000000      1.665977000000     -0.972847000000
  H                                                -0.118055000000      1.450646000000      1.435502000000
  H                                                -0.177183000000      2.735203000000      0.256669000000
  C                                                 1.458496000000     -0.656559000000      1.508984000000
  C                                                 3.060086000000     -0.290467000000     -0.413000000000
  H                                                 0.412233000000     -0.690309000000      1.806635000000
  H                                                 1.991804000000     -0.002624000000      2.204759000000
  H                                                 1.865028000000     -1.664540000000      1.625325000000
  H                                                 3.146950000000      0.056753000000     -1.444121000000
  H                                                 3.414003000000     -1.324549000000     -0.376315000000
  H                                                 3.733703000000      0.313863000000      0.201341000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 19:40:37 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.510632   0.000000
     3  C    1.478768   2.550529   0.000000
     4  C    2.470396   2.922297   1.333901   0.000000
     5  C    3.864597   4.412923   2.486618   1.497951   0.000000
     6  C    2.903309   2.540523   2.472396   1.511655   2.562563
     7  C    2.591465   1.520302   2.887321   2.539717   3.845319
     8  C    1.519163   1.514511   2.628832   3.447618   4.824819
     9  H    1.085689   2.224575   2.169721   3.249527   4.547232
    10  H    2.210630   1.083401   3.427466   3.807682   5.296595
    11  H    2.203978   3.514705   1.086250   2.094818   2.697798
    12  H    4.102167   4.956188   2.624945   2.154469   1.090402
    13  H    4.490881   4.945365   3.215563   2.146616   1.095001
    14  H    4.500085   4.838103   3.202510   2.149530   1.094841
    15  H    3.919092   3.471176   3.325062   2.142594   2.627163
    16  H    3.268694   2.914177   2.976262   2.132938   3.039107
    17  H    3.100077   2.159155   3.255446   2.902309   4.026614
    18  H    3.462060   2.146807   3.898703   3.464992   4.684154
    19  C    2.621097   2.625126   3.068791   3.677857   4.791362
    20  C    2.578484   2.572980   3.899499   4.867851   6.252109
    21  H    2.757041   2.829849   2.676173   2.984311   3.912844
    22  H    3.486969   3.061638   4.045852   4.477458   5.588446
    23  H    3.134898   3.512804   3.486394   4.299128   5.264707
    24  H    2.701944   2.692640   4.152799   5.125032   6.555652
    25  H    3.060719   3.465611   4.194651   5.319668   6.586050
    26  H    3.472476   3.060032   4.758641   5.579868   6.974849
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.534761   0.000000
     8  C    3.594152   2.660040   0.000000
     9  H    3.719725   3.483392   2.205787   0.000000
    10  H    3.245062   2.207240   2.201514   2.476868   0.000000
    11  H    3.464856   3.947779   3.249182   2.589930   4.354828
    12  H    3.499289   4.648452   5.107807   4.656372   5.857321
    13  H    2.815284   4.294622   5.590902   5.049177   5.694684
    14  H    2.859124   4.020776   5.192225   5.324961   5.786338
    15  H    1.093545   2.163878   4.443392   4.788486   4.175472
    16  H    1.096993   2.168918   4.185474   3.826433   3.308986
    17  H    2.147593   1.091779   2.753506   4.115161   2.967825
    18  H    2.161962   1.091730   3.443313   4.203342   2.349285
    19  C    3.953080   3.096793   1.509529   3.484513   3.494845
    20  C    4.981942   3.929196   1.512041   2.674554   2.669245
    21  H    3.359643   2.829180   2.171255   3.766803   3.857815
    22  H    4.456950   3.344168   2.156775   4.332521   3.776016
    23  H    4.845092   4.135860   2.146417   3.811202   4.324565
    24  H    5.158042   4.180611   2.163543   2.423336   2.404913
    25  H    5.694544   4.790483   2.160498   3.027252   3.678689
    26  H    5.487375   4.218770   2.159409   3.690001   3.038861
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.373003   0.000000
    13  H    3.481674   1.770824   0.000000
    14  H    3.448884   1.772089   1.754061   0.000000
    15  H    4.209267   3.687712   2.773126   2.538942   0.000000
    16  H    3.936636   3.946325   2.926082   3.536676   1.746976
    17  H    4.201440   4.792990   4.645108   3.940116   2.393170
    18  H    4.977292   5.572661   4.960676   4.817812   2.551515
    19  C    3.506410   5.024620   5.728433   4.872290   4.520761
    20  C    4.340749   6.445203   6.985844   6.679495   5.874482
    21  H    3.129992   4.195637   4.889841   3.862576   3.764847
    22  H    4.572499   5.931605   6.494669   5.532143   4.893145
    23  H    3.602016   5.280901   6.266997   5.370857   5.425118
    24  H    4.630832   6.769029   7.159367   7.111791   6.139172
    25  H    4.369194   6.604825   7.391442   7.028339   6.582153
    26  H    5.277299   7.254822   7.721484   7.282249   6.279140
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.042283   0.000000
    18  H    2.418488   1.744486   0.000000
    19  C    4.823883   2.632722   3.968348   0.000000
    20  C    5.420934   4.068048   4.481411   2.528465   0.000000
    21  H    4.350399   2.236657   3.805777   1.088302   3.478186
    22  H    5.341622   2.674931   3.999407   1.093687   2.841961
    23  H    5.701520   3.697707   5.039998   1.093082   2.733315
    24  H    5.379364   4.571151   4.595285   3.475704   1.091475
    25  H    6.182740   4.843534   5.457002   2.797243   1.093585
    26  H    5.972877   4.201365   4.600106   2.797895   1.093796
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768179   0.000000
    23  H    1.758583   1.764591   0.000000
    24  H    4.313258   3.827821   3.745353   0.000000
    25  H    3.765389   3.229873   2.553719   1.766217   0.000000
    26  H    3.823283   2.673586   3.071442   1.765766   1.766434
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.5463935           0.9251117           0.8426951
 Leave Link  202 at Thu Jul  8 19:40:38 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       548.8339666672 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 19:40:40 2021, MaxMem= 10737418240 cpu:              33.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  4.37D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul  8 19:40:41 2021, MaxMem= 10737418240 cpu:              10.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:40:42 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "15_2carene_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:40:43 2021, MaxMem= 10737418240 cpu:              11.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737097578 LenY= 10736941901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.424911464861    
 DIIS: error= 2.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.424911464861     IErMin= 1 ErrMin= 2.46D-03
 ErrMax= 2.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.410 Goal=   None    Shift=    0.000
 GapD=    0.410 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=2.60D-02 MaxDP=2.29D+00              OVMax= 1.74D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.16D-02    CP:  1.49D+00
 E= -390.436621233845     Delta-E=       -0.011709768983 Rises=F Damp=F
 DIIS: error= 4.60D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.436621233845     IErMin= 2 ErrMin= 4.60D-04
 ErrMax= 4.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.60D-03
 Coeff-Com: -0.629D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.627D-01 0.106D+01
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=5.03D-03 MaxDP=6.49D-01 DE=-1.17D-02 OVMax= 4.33D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.72D-03    CP:  1.58D+00  1.18D+00
 E= -390.436935631355     Delta-E=       -0.000314397510 Rises=F Damp=F
 DIIS: error= 2.40D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.436935631355     IErMin= 3 ErrMin= 2.40D-04
 ErrMax= 2.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-05 BMatP= 2.15D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.40D-03
 Coeff-Com: -0.299D-01 0.309D+00 0.721D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.298D-01 0.309D+00 0.721D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=4.29D-04 MaxDP=4.61D-02 DE=-3.14D-04 OVMax= 1.55D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.98D-04    CP:  1.59D+00  1.19D+00  1.09D+00
 E= -390.436984546487     Delta-E=       -0.000048915132 Rises=F Damp=F
 DIIS: error= 7.78D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.436984546487     IErMin= 4 ErrMin= 7.78D-05
 ErrMax= 7.78D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.79D-06 BMatP= 4.75D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.247D-03-0.656D-01 0.197D+00 0.868D+00
 Coeff:      0.247D-03-0.656D-01 0.197D+00 0.868D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.46D-04 MaxDP=1.68D-02 DE=-4.89D-05 OVMax= 6.56D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.66D-05    CP:  1.59D+00  1.19D+00  1.14D+00  1.08D+00
 E= -390.436991688896     Delta-E=       -0.000007142409 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.436991688896     IErMin= 5 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-07 BMatP= 5.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-02-0.311D-01 0.181D-02 0.177D+00 0.851D+00
 Coeff:      0.172D-02-0.311D-01 0.181D-02 0.177D+00 0.851D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=2.25D-05 MaxDP=9.81D-04 DE=-7.14D-06 OVMax= 1.83D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.55D-05    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.16D+00
 E= -390.436991998946     Delta-E=       -0.000000310050 Rises=F Damp=F
 DIIS: error= 3.23D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.436991998946     IErMin= 6 ErrMin= 3.23D-06
 ErrMax= 3.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-08 BMatP= 2.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.331D-03-0.151D-02-0.141D-01-0.262D-01 0.208D+00 0.834D+00
 Coeff:      0.331D-03-0.151D-02-0.141D-01-0.262D-01 0.208D+00 0.834D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=7.39D-06 MaxDP=7.96D-04 DE=-3.10D-07 OVMax= 6.08D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.88D-06    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.19D+00
                    CP:  1.08D+00
 E= -390.436992033421     Delta-E=       -0.000000034475 Rises=F Damp=F
 DIIS: error= 1.38D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.436992033421     IErMin= 7 ErrMin= 1.38D-06
 ErrMax= 1.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-09 BMatP= 2.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.753D-04 0.233D-02-0.377D-02-0.226D-01-0.332D-01 0.177D+00
 Coeff-Com:  0.881D+00
 Coeff:     -0.753D-04 0.233D-02-0.377D-02-0.226D-01-0.332D-01 0.177D+00
 Coeff:      0.881D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=3.17D-06 MaxDP=2.47D-04 DE=-3.45D-08 OVMax= 3.98D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.62D-06    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.20D+00
                    CP:  1.15D+00  1.24D+00
 E= -390.436992036976     Delta-E=       -0.000000003556 Rises=F Damp=F
 DIIS: error= 5.05D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.436992036976     IErMin= 8 ErrMin= 5.05D-07
 ErrMax= 5.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-10 BMatP= 1.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.546D-04 0.102D-02-0.403D-03-0.657D-02-0.313D-01-0.443D-02
 Coeff-Com:  0.349D+00 0.693D+00
 Coeff:     -0.546D-04 0.102D-02-0.403D-03-0.657D-02-0.313D-01-0.443D-02
 Coeff:      0.349D+00 0.693D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=6.94D-07 MaxDP=5.21D-05 DE=-3.56D-09 OVMax= 8.88D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.19D-07    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.20D+00
                    CP:  1.16D+00  1.31D+00  1.15D+00
 E= -390.436992037553     Delta-E=       -0.000000000576 Rises=F Damp=F
 DIIS: error= 1.93D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.436992037553     IErMin= 9 ErrMin= 1.93D-07
 ErrMax= 1.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-11 BMatP= 3.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-05-0.932D-04 0.486D-03 0.205D-02-0.290D-02-0.309D-01
 Coeff-Com: -0.363D-01 0.162D+00 0.905D+00
 Coeff:     -0.286D-05-0.932D-04 0.486D-03 0.205D-02-0.290D-02-0.309D-01
 Coeff:     -0.363D-01 0.162D+00 0.905D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=5.12D-07 MaxDP=7.20D-05 DE=-5.76D-10 OVMax= 6.11D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.18D-07    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.20D+00
                    CP:  1.16D+00  1.34D+00  1.27D+00  1.27D+00
 E= -390.436992037517     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 3.84D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -390.436992037553     IErMin=10 ErrMin= 3.84D-08
 ErrMax= 3.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-12 BMatP= 2.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.378D-05-0.114D-03 0.172D-03 0.116D-02 0.189D-02-0.907D-02
 Coeff-Com: -0.367D-01-0.260D-01 0.274D+00 0.794D+00
 Coeff:      0.378D-05-0.114D-03 0.172D-03 0.116D-02 0.189D-02-0.907D-02
 Coeff:     -0.367D-01-0.260D-01 0.274D+00 0.794D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=2.62D-05 DE= 3.60D-11 OVMax= 1.27D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.61D-08    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.20D+00
                    CP:  1.17D+00  1.35D+00  1.30D+00  1.37D+00  1.24D+00
 E= -390.436992037542     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -390.436992037553     IErMin=11 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-13 BMatP= 3.87D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-05-0.241D-04-0.126D-04 0.813D-04 0.967D-03 0.100D-02
 Coeff-Com: -0.486D-02-0.340D-01-0.231D-01 0.206D+00 0.854D+00
 Coeff:      0.164D-05-0.241D-04-0.126D-04 0.813D-04 0.967D-03 0.100D-02
 Coeff:     -0.486D-02-0.340D-01-0.231D-01 0.206D+00 0.854D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=6.20D-08 MaxDP=1.12D-05 DE=-2.50D-11 OVMax= 5.85D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.21D-08    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.20D+00
                    CP:  1.17D+00  1.35D+00  1.30D+00  1.42D+00  1.39D+00
                    CP:  1.27D+00
 E= -390.436992037540     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 6.38D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin= 9 EnMin= -390.436992037553     IErMin=12 ErrMin= 6.38D-09
 ErrMax= 6.38D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-14 BMatP= 4.24D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.398D-06 0.128D-04-0.198D-04-0.135D-03-0.173D-03 0.109D-02
 Coeff-Com:  0.491D-02-0.202D-02-0.285D-01-0.976D-01 0.604D-01 0.106D+01
 Coeff:     -0.398D-06 0.128D-04-0.198D-04-0.135D-03-0.173D-03 0.109D-02
 Coeff:      0.491D-02-0.202D-02-0.285D-01-0.976D-01 0.604D-01 0.106D+01
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=2.34D-08 MaxDP=3.50D-06 DE= 1.71D-12 OVMax= 2.46D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.27D-09    CP:  1.59D+00  1.19D+00  1.15D+00  1.11D+00  1.20D+00
                    CP:  1.17D+00  1.34D+00  1.31D+00  1.43D+00  1.46D+00
                    CP:  1.45D+00  1.35D+00
 E= -390.436992037520     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 1.51D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin= 9 EnMin= -390.436992037553     IErMin=13 ErrMin= 1.51D-09
 ErrMax= 1.51D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-15 BMatP= 4.19D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-06 0.441D-05-0.376D-05-0.369D-04-0.103D-03 0.173D-03
 Coeff-Com:  0.151D-02 0.105D-02-0.349D-02-0.379D-01-0.456D-01 0.253D+00
 Coeff-Com:  0.832D+00
 Coeff:     -0.192D-06 0.441D-05-0.376D-05-0.369D-04-0.103D-03 0.173D-03
 Coeff:      0.151D-02 0.105D-02-0.349D-02-0.379D-01-0.456D-01 0.253D+00
 Coeff:      0.832D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=3.63D-09 MaxDP=4.01D-07 DE= 1.96D-11 OVMax= 4.54D-08

 SCF Done:  E(RM11) =  -390.436992038     A.U. after   13 cycles
            NFock= 13  Conv=0.36D-08     -V/T= 2.0067
 KE= 3.878376870534D+02 PE=-2.001312523712D+03 EE= 6.742038779541D+02
 Leave Link  502 at Thu Jul  8 19:46:19 2021, MaxMem= 10737418240 cpu:            5362.1 elap:             335.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.10163948D+03

 Leave Link  801 at Thu Jul  8 19:46:19 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 1.67D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.27D-01 3.83D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 2.06D-02 2.98D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 1.71D-03 6.01D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.45D-04 1.88D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.46D-05 5.64D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 8.27D-07 1.43D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 2.39D-08 2.08D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 5.87D-10 3.51D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 1.33D-11 4.42D-07.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 2.80D-13 7.02D-08.
      1 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 7.91D-15 1.12D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146894D+03
      2 -0.522614D+01  0.113871D+03
      3 -0.263224D+01  0.133811D+01  0.102526D+03
 Isotropic polarizability for W=    0.085645      121.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.398264D+02 -0.113900D+02  0.102170D+02
      2   0.507131D+01  0.964717D+01 -0.188508D+02
      3   0.347551D+02  0.174280D+01  0.863373D+01
      4  -0.335198D+02 -0.201975D+02 -0.907434D+01
      5   0.183015D+02 -0.115028D+02  0.313584D+02
      6   0.374445D+01 -0.269944D+01 -0.739258D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.448883D+01  0.657333D+00  0.143790D+01
      2   0.259059D+02 -0.550691D+01  0.867434D+01
      3  -0.183256D+02  0.952607D+01  0.805186D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.242851D+01  0.161513D+02  0.913539D+01
      2  -0.808446D+01 -0.128188D+02 -0.339673D+01
      3  -0.221299D+02  0.252688D+02  0.152473D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.665345D+00 -0.563246D+01  0.259761D+01
      2  -0.563246D+01 -0.142318D+01 -0.181609D+01
      3   0.259761D+01 -0.181609D+01 -0.118605D+01
 OR G Eigenvalues:    -6.1246    -2.4465     6.6272  Iso=     0.6480
 Eigenvectors:
   (1)   0.651699   0.755697  -0.064886
   (2)  -0.245310   0.290952   0.924754
   (3)   0.717713  -0.586744   0.374994
 w=    0.085645 a.u., Optical Rotation Beta=      0.6480 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =      225.57 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.93D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.16D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 4.41D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.24D-02 1.72D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.98D-03 4.20D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 2.73D-05 6.40D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 5.81D-07 7.34D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 7.75D-09 7.25D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 8.39D-11 7.30D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 8.65D-13 6.59D-08.
     16 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 1.15D-14 1.02D-08.
      1 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 2.91D-15 4.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.00D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 3.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 3.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146894D+03 -0.522614D+01 -0.263224D+01
      2  -0.522614D+01  0.113871D+03  0.133811D+01
      3  -0.263224D+01  0.133811D+01  0.102526D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.448883D+01  0.657333D+00  0.143790D+01
      2   0.259059D+02 -0.550691D+01  0.867434D+01
      3  -0.183256D+02  0.952607D+01  0.805186D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.398264D+02 -0.113900D+02  0.102170D+02
      2   0.507131D+01  0.964717D+01 -0.188508D+02
      3   0.347551D+02  0.174280D+01  0.863373D+01
      4  -0.335198D+02 -0.201975D+02 -0.907434D+01
      5   0.183015D+02 -0.115028D+02  0.313584D+02
      6   0.374445D+01 -0.269944D+01 -0.739258D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.224075D+02 -0.447701D+00 -0.141276D+01 -0.275355D+01 -0.177879D+01
      2  -0.447701D+00  0.536814D-01 -0.307142D+00 -0.177879D+01 -0.621310D+01
      3  -0.141276D+01 -0.307142D+00 -0.438770D+01  0.299083D+00 -0.122521D+01
                 6             7             8             9            10 
      1   0.299083D+00 -0.585846D+01 -0.233150D+01 -0.565377D+01 -0.281736D+01
      2  -0.122521D+01 -0.233150D+01  0.321733D+00  0.150024D+01  0.225425D+01
      3   0.907363D+00 -0.565377D+01  0.150024D+01  0.301661D+01 -0.165988D+00
                11            12            13            14            15 
      1   0.225425D+01 -0.165988D+00 -0.157901D+00 -0.224499D+01  0.951345D+00
      2  -0.124281D+01  0.290598D+01 -0.224499D+01  0.586410D+01  0.151527D+01
      3   0.290598D+01 -0.191059D+01  0.951345D+00  0.151527D+01  0.434923D+00
                16            17            18            19            20 
      1  -0.121608D+01  0.448338D+01 -0.110883D+01  0.259114D+02 -0.431353D+01
      2   0.448338D+01  0.221850D+01  0.273654D-01 -0.431353D+01  0.482301D+01
      3  -0.110883D+01  0.273654D-01  0.138292D+01 -0.225621D+01 -0.101363D+00
                21            22            23            24            25 
      1  -0.225621D+01 -0.657537D+01  0.462783D+01  0.728851D+00 -0.616773D+01
      2  -0.101363D+00  0.462783D+01  0.407237D+01  0.342336D+00  0.638816D-01
      3   0.254610D+01  0.728851D+00  0.342336D+00 -0.287954D+01  0.388104D+01
                26            27            28            29            30 
      1   0.638816D-01  0.388104D+01 -0.220530D+02  0.508639D+01  0.266385D+01
      2  -0.661787D+00 -0.303129D+01  0.508639D+01 -0.384992D+01 -0.825797D+00
      3  -0.303129D+01 -0.444972D+01  0.266385D+01 -0.825797D+00 -0.395116D+01
                31            32            33            34            35 
      1   0.101010D+02 -0.623011D+01 -0.634727D+00  0.688942D+01 -0.143508D+01
      2  -0.623011D+01  0.102156D+01  0.493466D-01 -0.143508D+01  0.107442D+01
      3  -0.634727D+00  0.493466D-01  0.258697D+01 -0.465190D+01  0.960613D+00
                36            37            38            39            40 
      1  -0.465190D+01  0.119053D+02 -0.344174D+01  0.212921D+00 -0.364918D+01
      2   0.960613D+00 -0.344174D+01 -0.174286D+00 -0.422060D+00  0.150993D+01
      3   0.255776D+01  0.212921D+00 -0.422060D+00  0.293492D+01 -0.480026D+00
                41            42            43            44            45 
      1   0.150993D+01 -0.480026D+00  0.526889D-01 -0.149761D+00  0.654688D+01
      2   0.648745D+01  0.136385D+01 -0.149761D+00  0.169030D+01 -0.136080D+01
      3   0.136385D+01 -0.159677D+01  0.654688D+01 -0.136080D+01 -0.520144D+01
                46            47            48            49            50 
      1  -0.802816D+00 -0.348969D+01 -0.217180D+01 -0.526661D+01  0.499317D+01
      2  -0.348969D+01  0.190007D+01  0.540734D-01  0.499317D+01 -0.680067D+00
      3  -0.217180D+01  0.540734D-01  0.274414D+01 -0.356055D+00  0.869984D+00
                51            52            53            54            55 
      1  -0.356055D+00 -0.222877D+01 -0.787526D+00  0.478213D+01  0.235619D+01
      2   0.869984D+00 -0.787526D+00  0.226083D+01 -0.385664D+01  0.155919D+01
      3  -0.260998D+01  0.478213D+01 -0.385664D+01  0.226217D+01  0.126755D+01
                56            57            58            59            60 
      1   0.155919D+01  0.126755D+01  0.201249D+01 -0.861338D+00 -0.145557D+00
      2  -0.432301D+00  0.105024D+00 -0.861338D+00 -0.821615D+01 -0.775870D-01
      3   0.105024D+00 -0.100330D+01 -0.145557D+00 -0.775870D-01  0.140538D+01
                61            62            63            64            65 
      1   0.183438D+01  0.174921D+00 -0.116328D+01  0.130764D+02 -0.127971D+01
      2   0.174921D+00  0.738950D+00  0.584129D+00 -0.127971D+01  0.235150D+01
      3  -0.116328D+01  0.584129D+00 -0.551795D+01  0.461356D+01 -0.700063D+00
                66            67            68            69            70 
      1   0.461356D+01  0.189458D+01  0.598314D+01  0.661554D+00  0.126196D+02
      2  -0.700063D+00  0.598314D+01 -0.434596D+01  0.118411D+01 -0.193374D+00
      3   0.326109D+01  0.661554D+00  0.118411D+01  0.916197D+00  0.437792D+01
                71            72            73            74            75 
      1  -0.193374D+00  0.437792D+01  0.419495D+01 -0.111737D+01 -0.196618D+01
      2   0.679950D+00  0.108857D+01 -0.111737D+01  0.389830D+00  0.534128D+00
      3   0.108857D+01 -0.101160D+01 -0.196618D+01  0.534128D+00  0.250081D+01
                76            77            78            79            80 
      1  -0.287136D+01  0.322128D+00  0.333098D+00 -0.224075D+01  0.657099D+00
      2   0.322128D+00 -0.770193D+00 -0.150470D+01  0.657099D+00 -0.183653D+01
      3   0.333098D+00 -0.150470D+01 -0.239255D+01  0.306368D+01 -0.272715D+01
                81            82            83            84            85 
      1   0.306368D+01  0.301626D+01  0.155920D+01 -0.131845D+01  0.113429D+01
      2  -0.272715D+01  0.155920D+01  0.181942D+01 -0.150887D+01  0.158166D+01
      3  -0.844139D+01 -0.131845D+01 -0.150887D+01  0.180411D+01 -0.129450D+01
                86            87            88            89            90 
      1   0.158166D+01 -0.129450D+01 -0.195638D+01 -0.181222D+01  0.156309D+01
      2   0.433801D+01 -0.240979D+01 -0.181222D+01 -0.267711D+01  0.218870D+01
      3  -0.240979D+01  0.201697D+01  0.156309D+01  0.218870D+01 -0.289738D+01
                91            92            93            94            95 
      1   0.978739D-01 -0.151765D+01 -0.607187D+00 -0.157610D+01 -0.133453D+01
      2  -0.151765D+01 -0.102138D+01  0.117765D+00 -0.133453D+01 -0.105449D+02
      3  -0.607187D+00  0.117765D+00  0.217366D+00 -0.866478D-01 -0.177890D+01
                96            97            98            99           100 
      1  -0.866478D-01 -0.201224D+01  0.249475D+00 -0.620813D+00 -0.567157D+00
      2  -0.177890D+01  0.249475D+00 -0.866483D+00 -0.503087D+00 -0.821679D+00
      3  -0.112206D+01 -0.620813D+00 -0.503087D+00 -0.101709D+00 -0.413316D+00
               101           102           103           104           105 
      1  -0.821679D+00 -0.413316D+00 -0.259076D+01 -0.324301D+01 -0.851907D-01
      2  -0.441985D+00 -0.434288D-01 -0.324301D+01 -0.851183D+01 -0.507579D+00
      3  -0.434288D-01 -0.220186D+00 -0.851907D-01 -0.507579D+00 -0.101917D+01
               106           107           108           109           110 
      1  -0.872924D+00 -0.377497D+00 -0.829956D+00 -0.112637D+02  0.151864D+01
      2  -0.377497D+00 -0.982693D+00 -0.954017D+00  0.151864D+01 -0.108615D+01
      3  -0.829956D+00 -0.954017D+00  0.114830D-01 -0.235366D+01  0.641235D+00
               111           112           113           114           115 
      1  -0.235366D+01  0.498545D+01 -0.167157D+01  0.656659D+00 -0.516118D+01
      2   0.641235D+00 -0.167157D+01  0.834149D+00 -0.917038D+00  0.603826D+00
      3  -0.178655D+01  0.656659D+00 -0.917038D+00  0.100882D+01 -0.329611D+01
               116           117           118           119           120 
      1   0.603826D+00 -0.329611D+01 -0.461041D+01  0.279432D+00  0.206065D+01
      2  -0.114541D+01  0.822662D+00  0.279432D+00 -0.167439D+00  0.485619D-01
      3   0.822662D+00 -0.138886D+01  0.206065D+01  0.485619D-01 -0.196271D+01
               121           122           123           124           125 
      1   0.224418D+01 -0.897297D+00 -0.603106D+00  0.555675D+01  0.542048D+00
      2  -0.897297D+00 -0.207790D+00  0.935371D+00  0.542048D+00  0.102470D+01
      3  -0.603106D+00  0.935371D+00  0.100849D+01 -0.512800D+01  0.386657D+00
               126           127           128           129           130 
      1  -0.512800D+01 -0.560467D+01  0.261186D+01  0.264108D+01  0.234270D+01
      2   0.386657D+00  0.261186D+01 -0.228953D+01 -0.106194D+01 -0.219232D+01
      3   0.766302D+01  0.264108D+01 -0.106194D+01 -0.184350D+01 -0.873609D+00
               131           132           133           134           135 
      1  -0.219232D+01 -0.873609D+00  0.397558D+01 -0.146135D+01 -0.306082D+01
      2   0.191888D+01  0.121376D+01 -0.146135D+01  0.171573D+01  0.222329D+01
      3   0.121376D+01  0.125774D+01 -0.306082D+01  0.222329D+01  0.266717D+01
               136           137           138           139           140 
      1  -0.237017D+01  0.210770D+01 -0.119893D+01  0.196542D+01 -0.224087D+01
      2   0.210770D+01 -0.164849D+01  0.722632D+00 -0.224087D+01  0.368518D+01
      3  -0.119893D+01  0.722632D+00 -0.129948D+01  0.107804D+01 -0.228102D+01
               141           142           143           144           145 
      1   0.107804D+01 -0.275228D+01  0.219196D+01 -0.319850D+01  0.317342D-01
      2  -0.228102D+01  0.219196D+01 -0.439119D+01  0.333812D+01 -0.184344D+00
      3   0.189487D+01 -0.319850D+01  0.333812D+01 -0.498697D+01  0.702024D+00
               146           147           148           149           150 
      1  -0.184344D+00  0.702024D+00 -0.735231D+00  0.439814D+00 -0.220893D+00
      2   0.240494D+00  0.350944D-02  0.439814D+00  0.509655D+00  0.936748D+00
      3   0.350944D-02  0.540570D+00 -0.220893D+00  0.936748D+00 -0.610162D+00
               151           152           153           154           155 
      1   0.147049D+01 -0.338379D+00  0.733728D+00  0.229756D+00  0.124942D+01
      2  -0.338379D+00  0.134073D+01  0.103327D+01  0.124942D+01  0.621962D+00
      3   0.733728D+00  0.103327D+01  0.732875D+01 -0.143251D+00  0.665909D-01
               156           157           158           159           160 
      1  -0.143251D+00  0.109754D+01  0.390558D+00  0.666819D-01 -0.526716D+00
      2   0.665909D-01  0.390558D+00  0.127441D+02  0.502868D+00  0.540885D-01
      3   0.199640D+00  0.666819D-01  0.502868D+00  0.753416D+00  0.162290D+00
               161           162           163           164           165 
      1   0.540885D-01  0.162290D+00  0.407373D+01  0.295074D+00 -0.339937D+01
      2  -0.993040D+00  0.119626D+01  0.295074D+00 -0.339518D+01 -0.562339D+00
      3   0.119626D+01  0.382114D+00 -0.339937D+01 -0.562339D+00 -0.203901D+01
               166           167           168           169           170 
      1  -0.189693D+00 -0.473531D+01 -0.922518D+00 -0.436382D+01 -0.715987D+00
      2  -0.473531D+01  0.566536D+01 -0.338085D+01 -0.715987D+00 -0.185706D+01
      3  -0.922518D+00 -0.338085D+01 -0.336998D+01 -0.283531D+01 -0.273347D+01
               171           172           173           174           175 
      1  -0.283531D+01 -0.273802D+01 -0.767732D+00 -0.358741D+01 -0.151081D+01
      2  -0.273347D+01 -0.767732D+00 -0.378406D+01 -0.967077D+00 -0.626181D+01
      3  -0.452900D+00 -0.358741D+01 -0.967077D+00 -0.120329D+01 -0.142788D+01
               176           177           178           179           180 
      1  -0.626181D+01 -0.142788D+01 -0.446579D+01 -0.142770D+01 -0.256227D+01
      2   0.527228D+01 -0.186182D+00 -0.142770D+01 -0.703316D+00 -0.291892D+01
      3  -0.186182D+00 -0.292114D+01 -0.256227D+01 -0.291892D+01  0.479187D+01
               181           182           183           184           185 
      1  -0.596454D+01 -0.328781D+00  0.133949D+01 -0.386647D+00 -0.252676D+00
      2  -0.328781D+00 -0.697971D+00  0.610799D+00 -0.252676D+00 -0.760358D+00
      3   0.133949D+01  0.610799D+00 -0.233467D+01  0.369820D+00  0.673632D+00
               186           187           188           189           190 
      1   0.369820D+00  0.116863D+01  0.380097D+00 -0.127347D+01  0.296121D+01
      2   0.673632D+00  0.380097D+00  0.564579D+00  0.100807D+00  0.858305D+00
      3   0.180642D+00 -0.127347D+01  0.100807D+00  0.150136D+01  0.284889D+01
               191           192           193           194           195 
      1   0.858305D+00  0.284889D+01  0.204731D+01  0.175984D+01  0.185885D+01
      2   0.132083D+01  0.672400D+00  0.175984D+01  0.141164D+01  0.201268D+01
      3   0.672400D+00  0.314493D+01  0.185885D+01  0.201268D+01  0.368334D+01
               196           197           198           199           200 
      1   0.217819D+01  0.854589D+00  0.301870D+01  0.174507D+01 -0.198753D+01
      2   0.854589D+00  0.130511D+01  0.170874D+01 -0.198753D+01  0.241199D+01
      3   0.301870D+01  0.170874D+01  0.568624D+01  0.132995D+01 -0.827229D+00
               201           202           203           204           205 
      1   0.132995D+01 -0.239241D+01  0.338475D+01 -0.107841D+01  0.572170D+00
      2  -0.827229D+00  0.338475D+01 -0.806693D+01  0.299765D+01 -0.299268D+00
      3   0.133092D+01 -0.107841D+01  0.299765D+01 -0.204089D+01  0.958150D+00
               206           207           208           209           210 
      1  -0.299268D+00  0.958150D+00  0.392589D+00  0.598487D+00 -0.102417D+01
      2   0.999159D+00 -0.111380D+01  0.598487D+00  0.433223D+00 -0.654181D-01
      3  -0.111380D+01  0.100894D+01 -0.102417D+01 -0.654181D-01  0.905957D+00
               211           212           213           214           215 
      1   0.126151D+01  0.103859D+01 -0.534972D+00 -0.259856D+01 -0.238304D+00
      2   0.103859D+01  0.413710D+00 -0.115290D+01 -0.238304D+00 -0.123204D+01
      3  -0.534972D+00 -0.115290D+01  0.194948D+01  0.273191D+01  0.156399D+01
               216           217           218           219           220 
      1   0.273191D+01  0.359563D+01 -0.228695D+01  0.167673D+00 -0.506220D+01
      2   0.156399D+01 -0.228695D+01  0.225635D+01  0.162219D+00  0.488349D+01
      3  -0.723535D+01  0.167673D+00  0.162219D+00  0.398850D+00  0.585379D+00
               221           222           223           224           225 
      1   0.488349D+01  0.585379D+00  0.865922D+00  0.961554D-01  0.112784D+01
      2  -0.754473D+01 -0.217812D+00  0.961554D-01  0.112694D+00 -0.733505D+00
      3  -0.217812D+00 -0.966226D+00  0.112784D+01 -0.733505D+00 -0.374602D+00
               226           227           228           229           230 
      1   0.761134D+01  0.200646D+01  0.217104D+01  0.463137D+01  0.302972D+01
      2   0.200646D+01  0.160913D+01  0.747808D+00  0.302972D+01  0.162365D+01
      3   0.217104D+01  0.747808D+00  0.141273D+01  0.115473D+01  0.104195D+01
               231           232           233           234 
      1   0.115473D+01  0.523783D+01  0.121644D+01  0.243565D+01
      2   0.104195D+01  0.121644D+01  0.129926D+01  0.120926D+01
      3   0.152388D+01  0.243565D+01  0.120926D+01  0.179946D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.210177D+01 -0.109105D+01 -0.227784D+01 -0.106389D+01  0.761043D+01
      2  -0.312841D+02  0.663582D+00 -0.372978D+01 -0.365640D+01 -0.425051D+01
      3   0.307198D+02 -0.489836D+01  0.164044D+01  0.181634D+02  0.873379D+01
                 6             7             8             9            10 
      1   0.678992D+00  0.121960D+01  0.431971D+01  0.203538D+01  0.120697D+01
      2  -0.455952D+00 -0.225346D+02 -0.168683D+01 -0.560607D+01 -0.322342D+01
      3   0.291433D+01  0.115513D+02 -0.847219D+00  0.572439D+01 -0.701658D+01
                11            12            13            14            15 
      1  -0.332700D+01 -0.582576D+00 -0.544444D+00 -0.808881D+01 -0.465145D+01
      2   0.616371D+01  0.109438D+01 -0.898118D-01  0.143044D+01  0.203153D+01
      3  -0.280941D+01 -0.592312D+01  0.110578D+02 -0.140185D+02  0.199853D+00
                16            17            18            19            20 
      1  -0.183855D+01  0.332866D+01 -0.250373D+01  0.136768D+01  0.311511D+00
      2  -0.458914D+01  0.658780D+01  0.173731D+01  0.255697D+02 -0.330354D+01
      3  -0.129558D+02  0.102110D+01 -0.286387D+01 -0.467311D+02  0.128164D+02
                21            22            23            24            25 
      1   0.463183D+01  0.203486D+01 -0.431709D+01 -0.393402D+01  0.876867D+01
      2  -0.457041D+01 -0.787616D+01  0.474031D+01  0.313018D+01 -0.242265D+02
      3   0.270302D+01  0.239823D+02 -0.648642D+01 -0.323367D+01  0.113475D+02
                26            27            28            29            30 
      1   0.958520D+00 -0.373791D+01  0.150205D+00  0.800397D+00 -0.372817D+01
      2   0.312757D+01  0.854448D+01 -0.250160D+02  0.363108D+01  0.839650D+01
      3  -0.430933D+01 -0.992397D+01  0.420631D+02 -0.176582D+02 -0.558494D+01
                31            32            33            34            35 
      1   0.194594D+01  0.602034D+00  0.192610D+01 -0.626645D+01  0.101786D+02
      2   0.117663D+02 -0.328849D+01 -0.418809D+01  0.322125D+01 -0.316010D+01
      3  -0.180892D+02  0.731681D+01 -0.140589D+01 -0.148155D+02  0.199158D+01
                36            37            38            39            40 
      1   0.382953D+01 -0.539192D+00  0.276739D+00  0.144999D+01  0.100368D+01
      2  -0.636253D+01 -0.319948D+01  0.238175D+01 -0.962927D+01  0.347475D+01
      3   0.769581D+01 -0.246644D+02  0.172625D+01 -0.165348D+01  0.142669D+02
                41            42            43            44            45 
      1   0.347235D+01 -0.316466D+01  0.635041D+01  0.511201D+00 -0.550689D+01
      2  -0.579403D+01  0.576708D+01 -0.339173D+02  0.614147D+01  0.216482D+02
      3   0.236852D+02  0.573004D+01 -0.299719D+01  0.703141D+01 -0.120441D+02
                46            47            48            49            50 
      1   0.353749D+01  0.318668D+00 -0.487035D+01  0.194053D+01 -0.205271D+01
      2   0.698202D+01 -0.157987D+01 -0.439839D+01 -0.164363D+01 -0.538328D+00
      3  -0.101461D+02 -0.659770D+01 -0.533949D+01  0.101177D+02 -0.384737D+01
                51            52            53            54            55 
      1   0.276817D+01 -0.123007D+02  0.125745D+02 -0.258446D+01 -0.225201D+01
      2   0.535760D+01 -0.148997D+02  0.854112D+01 -0.310733D+01 -0.344736D+01
      3   0.287589D+01 -0.723513D+01  0.780082D+01 -0.313852D+01  0.100725D+02
                56            57            58            59            60 
      1  -0.831704D+00  0.266197D+01  0.351159D+00 -0.757427D+01 -0.542343D+01
      2  -0.421563D+00  0.169809D+01 -0.253318D+01  0.123261D+01 -0.785503D+00
      3   0.578391D+01  0.483190D+01  0.122318D+02 -0.600356D+01  0.389261D+00
                61            62            63            64            65 
      1   0.307396D+01  0.281011D+01  0.135471D+02  0.457100D-01  0.277544D+01
      2  -0.202021D+01 -0.120944D+01  0.319627D+01  0.272865D+02 -0.210232D+01
      3   0.499389D+01 -0.524967D-01 -0.113769D+01 -0.706775D+01 -0.113996D+02
                66            67            68            69            70 
      1   0.222355D+01 -0.469672D+01  0.240809D+01 -0.418031D+01 -0.190162D+01
      2   0.127098D+02  0.631320D+01  0.404557D+01  0.359471D+01  0.932941D+01
      3  -0.476484D+00 -0.144407D+02  0.939406D+01 -0.280763D+01 -0.996750D+01
                71            72            73            74            75 
      1   0.552540D+01  0.850303D-01 -0.136957D+01 -0.427384D+00  0.134653D+01
      2   0.448337D+01 -0.894581D+00  0.538177D+01 -0.108386D+01  0.875885D+00
      3  -0.222622D+01 -0.625663D+01 -0.401045D+01 -0.112398D+01  0.103696D+01
                76            77            78            79            80 
      1   0.341903D+00  0.161601D+00 -0.811934D+00  0.184143D+01  0.364714D+01
      2  -0.373110D+01 -0.865126D+00 -0.146211D+01 -0.305246D+01 -0.957897D+00
      3   0.706734D+01 -0.491046D+00  0.375705D+00  0.127886D+01  0.177736D+01
                81            82            83            84            85 
      1  -0.230499D+01  0.765385D+00  0.146306D-01 -0.186344D+01  0.133674D+00
      2  -0.242121D+01  0.229084D+01 -0.734672D+00  0.223126D+01 -0.356642D+00
      3  -0.747146D+00  0.189451D+01 -0.211284D+01 -0.109104D+00  0.315488D+01
                86            87            88            89            90 
      1  -0.127434D+01 -0.280151D+01 -0.972797D+00  0.619018D+00  0.288276D+01
      2  -0.101436D+01  0.123941D+01 -0.212116D+01  0.116501D+00 -0.210722D+01
      3  -0.401536D+01  0.135995D+01 -0.565683D+00  0.181382D+01  0.139774D-01
                91            92            93            94            95 
      1  -0.749698D+00  0.121511D+01 -0.454462D+00  0.109523D+01  0.634329D+01
      2   0.219357D+00 -0.129939D+01 -0.465707D-01 -0.153545D+01 -0.663237D+00
      3  -0.154904D+00  0.157152D-01  0.934778D+00  0.442965D+01 -0.768442D+01
                96            97            98            99           100 
      1  -0.425152D+01 -0.406744D+01  0.122744D+01  0.102426D+01 -0.875499D+00
      2   0.150730D+01 -0.230561D+01  0.334032D-02 -0.827821D+00  0.157996D+01
      3  -0.961710D+00  0.572256D+01 -0.970461D+00  0.444113D+00 -0.341283D+01
               101           102           103           104           105 
      1  -0.452333D+00 -0.168036D+00 -0.581367D+00 -0.232578D+01 -0.405599D+01
      2   0.350666D+00  0.150840D+01  0.238745D+00  0.184779D+01  0.416480D+01
      3  -0.225003D+01  0.487665D+00 -0.488489D+01 -0.280181D+02 -0.206751D+01
               106           107           108           109           110 
      1  -0.165592D+00 -0.220350D+00 -0.475535D+00 -0.555063D+00  0.890243D+00
      2   0.170393D+01  0.267029D+01 -0.103884D+00  0.881260D+01 -0.224996D+01
      3   0.825431D-02 -0.323626D+01 -0.204971D+01  0.159199D+02 -0.814549D+01
               111           112           113           114           115 
      1  -0.106072D+01  0.258679D+00 -0.106545D+01 -0.162499D+00 -0.156552D+01
      2   0.932189D+01 -0.334649D+01  0.332066D+01 -0.427661D+01  0.116825D+02
      3   0.459783D+01 -0.878006D+01  0.489856D+01 -0.396873D+01  0.652268D+01
               116           117           118           119           120 
      1   0.166824D+01 -0.818846D+00  0.226399D+01 -0.740737D+00 -0.188994D+01
      2  -0.331496D+01  0.550689D+01 -0.675889D+01 -0.554694D+00  0.823332D+01
      3  -0.591644D+01  0.593943D+01  0.649646D+01 -0.244081D+01 -0.231313D+01
               121           122           123           124           125 
      1  -0.998101D+00  0.102977D+01  0.607223D+00 -0.356835D+01  0.336441D+01
      2   0.189081D+01 -0.305022D+01 -0.387609D+01  0.169631D+02 -0.157200D+01
      3  -0.316654D+01  0.343547D-01  0.337296D+01 -0.395268D+01  0.466708D+01
               126           127           128           129           130 
      1   0.739466D+01 -0.472866D+01  0.115694D+01  0.398463D+01  0.999026D+00
      2  -0.291498D+02 -0.514137D+01  0.298290D+01  0.589332D+01  0.187074D+01
      3   0.665637D+01 -0.407380D+01 -0.438607D+01  0.170077D+01  0.665606D+00
               131           132           133           134           135 
      1  -0.149230D+01 -0.305424D+01  0.521006D+01 -0.167150D+01 -0.467752D+01
      2  -0.274365D+01 -0.350866D+01  0.432089D+01 -0.492840D+01 -0.666979D+01
      3   0.612914D+00  0.936494D+00  0.500950D+01  0.217774D+01  0.188098D+00
               136           137           138           139           140 
      1   0.194186D+01 -0.109761D+01  0.240440D+01 -0.110350D+01  0.223963D+01
      2   0.150120D+01 -0.766563D+00  0.390337D+01 -0.469914D+00  0.349047D+01
      3   0.124656D+01 -0.159108D+01  0.176742D+00 -0.599332D+00  0.680084D+01
               141           142           143           144           145 
      1  -0.482871D+01  0.614804D+01 -0.431756D+01  0.857874D+01 -0.257787D+01
      2  -0.414226D+01  0.414490D+01 -0.618054D+01  0.969000D+01 -0.629336D+00
      3  -0.328983D+01  0.440080D+00 -0.918517D+01  0.327399D+01 -0.128294D+00
               146           147           148           149           150 
      1   0.906423D+00 -0.180848D+01  0.114333D+01 -0.172911D+01  0.176322D+01
      2   0.420686D+00 -0.197976D+00  0.176462D+01 -0.148599D+01  0.959178D+00
      3  -0.273168D+01  0.182067D+01 -0.182297D+01  0.830129D+00  0.149675D+00
               151           152           153           154           155 
      1  -0.227147D+01  0.206997D+01 -0.165077D+02  0.101144D+01  0.442932D+00
      2  -0.423698D+01  0.933909D-01 -0.383923D+01  0.612949D+00 -0.621184D+00
      3   0.434546D+01 -0.597145D+00  0.131686D+01  0.820474D+00  0.147942D+01
               156           157           158           159           160 
      1  -0.643345D+00 -0.841760D-01  0.494799D+01 -0.454883D+01 -0.712861D+00
      2   0.990821D+00 -0.125461D+01 -0.868691D+00 -0.264863D+00 -0.611551D+00
      3  -0.827512D+00  0.721956D+01  0.567018D+01  0.253813D+00 -0.142557D+01
               161           162           163           164           165 
      1  -0.161408D+01 -0.412345D+00 -0.178704D+01 -0.739336D+01 -0.289820D+01
      2  -0.349424D+00 -0.612492D+00 -0.166452D+02 -0.269429D+01  0.743839D+01
      3  -0.728294D+00  0.121098D+01 -0.404594D+01  0.334750D+01  0.438313D+01
               166           167           168           169           170 
      1  -0.109638D+02  0.863006D+01 -0.126760D+02 -0.394789D+01 -0.524403D+01
      2  -0.378781D+01  0.146453D+01 -0.404166D+01  0.415172D-01 -0.338562D+01
      3   0.109317D+02 -0.704373D+01  0.656394D+01  0.530172D+01  0.452029D+01
               171           172           173           174           175 
      1  -0.679471D+01 -0.108506D+01  0.114192D+01 -0.585444D+00  0.293167D+01
      2   0.159493D+01 -0.147037D+02 -0.374778D+01 -0.623087D+01 -0.542902D+01
      3   0.710523D+01  0.513291D+01  0.142774D+02  0.481461D+01  0.292372D+02
               176           177           178           179           180 
      1  -0.281015D+01 -0.280310D+01 -0.416923D+00  0.130320D+01  0.343220D+01
      2  -0.468665D+01 -0.117644D+02 -0.175407D+02 -0.111649D+02  0.172317D+02
      3  -0.174041D+02  0.129750D+01  0.720392D+01  0.212872D+01  0.119855D+02
               181           182           183           184           185 
      1   0.220139D+00 -0.228840D+01 -0.105933D+01 -0.138201D+01 -0.122394D+00
      2   0.198270D+02  0.109140D+01 -0.413755D+01  0.998670D+00  0.200620D+01
      3   0.689951D+01 -0.479613D+00 -0.160011D+01  0.230370D+01  0.976849D+00
               186           187           188           189           190 
      1   0.391711D+00 -0.108027D+01  0.213026D+01  0.101903D+01  0.420854D+01
      2  -0.366159D+00 -0.636025D+01 -0.600851D+00  0.406506D+01  0.354928D+00
      3  -0.934360D+00 -0.110824D+01 -0.528256D-01  0.111302D+01 -0.310629D+01
               191           192           193           194           195 
      1   0.432531D+01  0.363512D+01  0.486997D+01  0.590631D+01  0.543061D+01
      2  -0.544696D+00  0.289394D+01 -0.108502D+01  0.130039D+01  0.473638D+01
      3  -0.404052D+01 -0.325322D+01 -0.319265D+01 -0.445456D+01 -0.478621D+01
               196           197           198           199           200 
      1   0.436814D+01  0.613433D+01  0.764666D+01 -0.252387D+01  0.450002D+01
      2  -0.185101D+01  0.149853D+01  0.617321D+01 -0.504139D+00  0.150693D+01
      3  -0.221594D+01 -0.392888D+01 -0.499600D+01  0.162315D+01 -0.393319D+01
               201           202           203           204           205 
      1   0.851020D+00  0.581771D+01 -0.135381D+02  0.797696D+00  0.413584D-01
      2   0.170500D+01  0.322802D+01  0.434339D+00 -0.322124D+01 -0.652992D+00
      3   0.674410D+00 -0.995510D+00  0.119465D+02 -0.435254D+01 -0.418854D+00
               206           207           208           209           210 
      1   0.224772D+01 -0.106189D+01 -0.825195D+00 -0.393821D+00  0.377625D+00
      2  -0.872675D+00  0.487554D+00 -0.416160D+01  0.173154D+00  0.351917D+01
      3  -0.132206D+01  0.979401D+00 -0.228027D+01 -0.206801D+01  0.795828D+00
               211           212           213           214           215 
      1  -0.357261D+00 -0.124882D+01  0.273291D+00  0.790402D+00  0.398252D+01
      2  -0.216638D+00 -0.308585D+01  0.687995D+01  0.412708D+01  0.564134D+01
      3  -0.232958D+01 -0.211498D+01  0.409060D+01  0.105131D+01  0.526826D+01
               216           217           218           219           220 
      1  -0.276303D+01  0.100466D+01 -0.107600D+01  0.928032D+00 -0.137166D+01
      2  -0.242754D+02  0.217597D+01 -0.623222D+00  0.317335D+01 -0.355623D+00
      3  -0.668340D+01  0.630185D+01 -0.891798D+01 -0.691157D+00 -0.122155D+02
               221           222           223           224           225 
      1   0.348068D+01 -0.314775D+01  0.439553D+00  0.380229D+00  0.482677D-01
      2   0.185640D+01 -0.432499D+01  0.297819D+01 -0.196710D+01 -0.942011D+00
      3   0.259549D+02  0.279008D+00 -0.127642D+01 -0.419878D+00  0.167074D+01
               226           227           228           229           230 
      1   0.428792D-01  0.431160D-01 -0.604375D+00 -0.401533D+00  0.138912D+00
      2   0.108008D+02  0.362992D+01  0.861604D+01  0.582164D+01  0.516541D+01
      3  -0.973167D+01 -0.880554D+01 -0.349854D+01 -0.108777D+02 -0.789118D+01
               231           232           233           234 
      1  -0.140316D+01  0.204295D+00  0.103002D+01 -0.702603D+00
      2   0.731051D+01  0.897250D+01  0.506418D+01  0.835786D+01
      3  -0.429501D+01 -0.584252D+01 -0.640551D+01 -0.547683D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.188685D+01  0.571913D-01 -0.834126D+01  0.421281D+01 -0.364295D+01
      2   0.980776D+01 -0.213639D+01 -0.125219D+01 -0.222192D+01  0.631229D+01
      3  -0.116946D+02  0.207920D+01  0.959345D+01 -0.199089D+01 -0.266934D+01
      4   0.129142D+02  0.195516D+01 -0.272508D+01 -0.204204D+01 -0.766778D-01
      5   0.585538D+00 -0.394232D+01 -0.110010D+02  0.220120D+01 -0.149350D+01
      6  -0.987569D+00 -0.108425D+01  0.174852D+01  0.520421D+00  0.819521D+01
                 6             7             8             9            10 
      1   0.526146D+01 -0.244891D+02  0.101420D+01  0.922981D+01 -0.799284D+01
      2   0.442228D+00  0.143676D+01  0.382810D+01  0.819402D+01  0.499123D+01
      3  -0.570369D+01  0.230524D+02 -0.484230D+01 -0.174238D+02  0.300161D+01
      4  -0.127900D+01 -0.623193D+01  0.402471D+01  0.764236D+01  0.424768D+01
      5   0.305257D+01 -0.151986D+02  0.548862D+01  0.126907D+02  0.266142D+00
      6  -0.208095D+01  0.849414D+01 -0.223139D+01 -0.104060D+02  0.425792D+01
                11            12            13            14            15 
      1   0.748227D+01 -0.467574D+01  0.809820D+01 -0.114013D+02 -0.136196D+01
      2   0.597747D+00  0.549120D+01 -0.310749D+01  0.128814D+02  0.412447D+01
      3  -0.808002D+01 -0.815466D+00 -0.499071D+01 -0.148014D+01 -0.276251D+01
      4  -0.634693D+01  0.830067D+01 -0.845580D+01  0.146799D+01  0.734558D+01
      5   0.784258D+01 -0.526721D+01  0.184753D+01  0.485997D+01 -0.359279D+01
      6   0.471846D+01 -0.584620D+01  0.698241D+01  0.467228D+01 -0.379887D+01
                16            17            18            19            20 
      1  -0.814827D+01  0.693003D+01 -0.219279D+01 -0.508426D+02  0.147386D+02
      2   0.621653D+01 -0.160320D+01  0.122571D+01  0.197111D+02 -0.111627D+02
      3   0.193174D+01 -0.532683D+01  0.967087D+00  0.311315D+02 -0.357587D+01
      4   0.130930D+02  0.548515D+01 -0.418184D+01 -0.126271D+02 -0.863027D+01
      5  -0.588166D+01 -0.319683D+01  0.431390D+01 -0.104208D+01  0.149725D+01
      6  -0.564356D+01 -0.634121D+01  0.829732D+01  0.530422D+01 -0.170269D+01
                21            22            23            24            25 
      1   0.527619D+01  0.280798D+02  0.548045D+01 -0.314241D+01  0.182701D+02
      2  -0.344922D-01 -0.227273D+02 -0.214100D+02 -0.423861D+01 -0.141480D+01
      3  -0.524170D+01 -0.535256D+01  0.159296D+02  0.738102D+01 -0.168553D+02
      4   0.176814D+01 -0.150325D+01 -0.118351D+02 -0.128503D+01  0.299637D+01
      5  -0.384392D+01 -0.483298D+01 -0.264640D+01  0.404329D+01  0.341866D+01
      6  -0.601486D+01 -0.526458D+01 -0.887458D+01  0.693836D+01 -0.116330D+02
                26            27            28            29            30 
      1  -0.391816D+01 -0.238062D+02  0.678186D+02 -0.250447D+02 -0.143207D+02
      2  -0.538923D+01 -0.556420D+00 -0.358610D+02  0.125429D+02  0.270461D+01
      3   0.930739D+01  0.243626D+02 -0.319577D+02  0.125018D+02  0.116161D+02
      4   0.485947D+01  0.271254D+01  0.100723D+01  0.617761D+01  0.172766D+01
      5   0.386365D+01  0.109662D+02 -0.117084D+01  0.364092D+01  0.139817D+02
      6   0.131719D+02  0.128065D+02 -0.453316D+01  0.723383D+01  0.619092D+01
                31            32            33            34            35 
      1  -0.251223D+02  0.919385D+01  0.338343D+01 -0.148406D+02  0.551214D+01
      2   0.105182D+02  0.528372D+01  0.191964D+01  0.498547D+01 -0.181616D+01
      3   0.146041D+02 -0.144776D+02 -0.530307D+01  0.985517D+01 -0.369598D+01
      4   0.141401D+02  0.297910D+01 -0.804655D-01  0.144654D+01  0.107784D+01
      5  -0.144682D+01  0.323449D+01 -0.700467D+01  0.234886D+02 -0.487037D+01
      6   0.629252D+01 -0.548164D+01 -0.383683D+01  0.541731D+01  0.275577D+01
                36            37            38            39            40 
      1   0.106918D+02 -0.636638D+02  0.251472D+02 -0.120564D+02  0.347317D+02
      2  -0.113118D+02  0.394633D+02 -0.141362D+02  0.340382D+01 -0.256588D+02
      3   0.619998D+00  0.242006D+02 -0.110110D+02  0.865260D+01 -0.907290D+01
      4  -0.108957D+01  0.131991D+02  0.234508D+01  0.385099D+01 -0.678395D+01
      5  -0.530456D+01 -0.151867D+02  0.419971D+01 -0.231303D+02  0.530342D+01
      6  -0.653128D+01  0.826818D+00 -0.355781D+00 -0.285529D+01 -0.924766D+00
                41            42            43            44            45 
      1   0.674123D+01  0.776641D+01 -0.197579D+02  0.738647D+01 -0.298028D+02
      2  -0.211914D+02 -0.516103D+01  0.183148D+01 -0.610510D+01  0.286137D+02
      3   0.144502D+02 -0.260538D+01  0.179264D+02 -0.128137D+01  0.118911D+01
      4  -0.401550D+02 -0.848766D+01  0.262480D+01 -0.982505D+01  0.399340D+01
      5  -0.107145D+02  0.116172D+02 -0.524476D+02  0.111290D+02  0.372507D+02
      6  -0.264511D+01  0.271031D+01 -0.791003D+01  0.188611D+01  0.759510D+01
                46            47            48            49            50 
      1   0.741669D+01  0.756666D+01  0.928772D+01  0.723240D+01 -0.130949D+02
      2  -0.517364D+01 -0.330467D+01 -0.416971D+01 -0.896990D+00  0.973951D+01
      3  -0.224306D+01 -0.426199D+01 -0.511801D+01 -0.633541D+01  0.335543D+01
      4   0.157311D+02 -0.152947D+02 -0.696060D+01 -0.258820D+02  0.655673D+01
      5   0.117871D+02 -0.481292D+01 -0.144432D+02  0.146826D+01 -0.432205D+01
      6  -0.952381D+01 -0.286862D+01  0.115595D+02 -0.611549D+01  0.100594D+02
                51            52            53            54            55 
      1  -0.129698D+01  0.880947D+01 -0.484229D+01 -0.585635D+01 -0.117538D+02
      2   0.222606D+01 -0.457185D+01  0.408790D+01  0.680723D+00  0.928930D+01
      3  -0.929084D+00 -0.423762D+01  0.754382D+00  0.517562D+01  0.246448D+01
      4  -0.249915D+01 -0.117930D+01 -0.986201D+01  0.243156D+02  0.707242D+00
      5   0.122323D+02 -0.259518D+02  0.209976D+02 -0.683046D+01 -0.130982D+01
      6  -0.123388D+02  0.212030D+02 -0.231216D+02  0.107530D+02  0.774411D+01
                56            57            58            59            60 
      1   0.201511D+01 -0.130303D+01 -0.231262D+01  0.315968D+02 -0.157804D+01
      2  -0.677200D+01  0.125959D+01 -0.683292D+00 -0.535906D+02 -0.135308D+01
      3   0.475689D+01  0.434432D-01  0.299591D+01  0.219938D+02  0.293113D+01
      4   0.344082D+00  0.310638D+01  0.654430D+01  0.433767D+01 -0.710354D+00
      5   0.177708D+01 -0.229515D+00 -0.103525D+01 -0.123946D+01 -0.828049D-01
      6   0.133657D+00 -0.209972D+01 -0.353133D+00 -0.397437D+01  0.479179D+01
                61            62            63            64            65 
      1  -0.986864D+00 -0.225046D+01  0.117180D+02  0.472515D+01 -0.294174D+01
      2   0.112775D+01  0.629895D+01  0.780414D+01 -0.879319D+01 -0.546368D+00
      3  -0.140891D+00 -0.404849D+01 -0.195221D+02  0.406804D+01  0.348811D+01
      4  -0.312239D+00  0.570532D+00 -0.540181D+01 -0.706868D+01  0.999826D+01
      5   0.477615D+01 -0.204081D+01  0.595318D+00  0.179450D+02 -0.777573D+00
      6  -0.387819D+01  0.401531D+01 -0.178022D+02 -0.447708D+01  0.321708D+01
                66            67            68            69            70 
      1   0.169131D+02 -0.559388D+01  0.154683D+02 -0.283548D+00  0.245466D+02
      2  -0.105890D+02  0.803784D+00 -0.587408D+01 -0.138004D+01 -0.144274D+02
      3  -0.632409D+01  0.479010D+01 -0.959427D+01  0.166359D+01 -0.101192D+02
      4  -0.280289D+01  0.203535D+02 -0.174970D+02  0.350909D+01 -0.461926D+01
      5   0.110107D+02  0.432944D+00  0.527292D+01  0.521265D+01  0.176704D+02
      6   0.879256D+00  0.588597D+00 -0.455450D+01  0.217795D+01 -0.260251D+01
                71            72            73            74            75 
      1  -0.123535D+01  0.514862D+01 -0.121334D+01  0.665128D-01  0.404248D+01
      2  -0.189203D+01 -0.821522D+01 -0.564764D+01  0.142604D+01  0.430436D+01
      3   0.312738D+01  0.306660D+01  0.686098D+01 -0.149255D+01 -0.834684D+01
      4   0.275271D+01  0.392022D+01 -0.628170D+01  0.501218D+01  0.391064D+01
      5   0.528223D+01 -0.549886D+01 -0.836572D+01  0.366542D+01  0.131810D+02
      6   0.351027D+01  0.191432D+01  0.468552D+01 -0.249345D+01 -0.412242D+01
                76            77            78            79            80 
      1   0.429645D+01 -0.705919D+01 -0.771735D+01  0.607752D+01 -0.765960D+01
      2  -0.692382D+00  0.128052D+01 -0.604416D+00  0.608150D+01 -0.265735D+01
      3  -0.360407D+01  0.577868D+01  0.832177D+01 -0.121590D+02  0.103169D+02
      4   0.425875D+01 -0.218307D+01 -0.425490D+01  0.508698D+01 -0.428903D+01
      5   0.385570D+01 -0.429700D+01 -0.506977D+01  0.137818D+02 -0.642070D+01
      6  -0.295469D+01  0.602748D+01  0.106332D+02 -0.472341D+01  0.104895D+02
                81            82            83            84            85 
      1  -0.268655D+02  0.634760D+01 -0.141175D+01  0.639060D+00 -0.148190D+01
      2  -0.150290D+02 -0.201657D+01  0.278643D+01 -0.361802D+00  0.353412D+01
      3   0.418945D+02 -0.433104D+01 -0.137469D+01 -0.277259D+00 -0.205223D+01
      4  -0.786175D+01  0.117261D+02  0.129696D+02 -0.840960D+01  0.113711D+02
      5  -0.199094D+02 -0.737884D+01 -0.682857D+01  0.896210D+01 -0.554550D+01
      6   0.173354D+02 -0.809835D+01 -0.697307D+01  0.685146D+01 -0.718530D+01
                86            87            88            89            90 
      1  -0.108815D+02  0.529652D+01  0.125547D+00  0.495804D+01 -0.682032D+01
      2   0.141875D+02 -0.533862D+01  0.467572D-02 -0.450292D+01  0.394485D+00
      3  -0.330601D+01  0.420961D-01 -0.130222D+00 -0.455118D+00  0.642584D+01
      4   0.168980D+02 -0.961129D+01 -0.892487D+01 -0.100926D+02  0.103205D+02
      5  -0.787444D+01  0.591050D+01  0.797201D+01  0.756895D+01 -0.962565D+01
      6  -0.155470D+02  0.131280D+02  0.784877D+01  0.137302D+02 -0.140370D+02
                91            92            93            94            95 
      1  -0.247936D+01  0.811695D+00  0.173091D+01  0.961566D+00 -0.337915D+02
      2   0.411251D+01  0.288834D+01 -0.476570D+00  0.250216D+01  0.491990D+02
      3  -0.163315D+01 -0.370003D+01 -0.125434D+01 -0.346372D+01 -0.154075D+02
      4   0.307756D+01  0.101499D+02  0.130556D+01  0.901140D+01  0.203554D+02
      5   0.103081D+01  0.174147D+01  0.168139D+01  0.234286D+01  0.533660D+01
      6   0.372020D+01  0.888694D-01  0.776441D-01  0.141165D+01  0.165920D+02
                96            97            98            99           100 
      1  -0.689314D+01  0.331284D+01 -0.385282D+01 -0.118781D+01  0.427414D+01
      2   0.681922D+01 -0.306134D+01  0.410969D+01  0.315875D+01  0.115427D+01
      3   0.739214D-01 -0.251505D+00 -0.256867D+00 -0.197094D+01 -0.542841D+01
      4   0.346203D+01  0.122472D+01 -0.406848D-01  0.903079D+00  0.699265D+01
      5   0.344060D+01  0.225799D+01  0.120369D+01 -0.391270D+00  0.287924D+01
      6   0.960744D+01  0.338755D+01  0.507532D+01  0.161881D+01  0.823325D+00
               101           102           103           104           105 
      1   0.618583D+01  0.290713D+01  0.941614D+01 -0.735826D+01 -0.955732D+00
      2  -0.188236D+01 -0.121173D+01  0.459183D+01  0.320440D+02  0.197246D+01
      3  -0.430347D+01 -0.169540D+01 -0.140080D+02 -0.246858D+02 -0.101672D+01
      4   0.974853D+01  0.861305D+00  0.273892D+02  0.578183D+02  0.385279D+01
      5   0.141743D+00  0.307772D+01  0.784966D+00  0.486199D+01  0.783039D+01
      6   0.137551D+00  0.235932D+00  0.480456D+00  0.160814D+00  0.671522D+01
               106           107           108           109           110 
      1   0.512584D+01 -0.976133D+00  0.493781D+00  0.869322D+02 -0.132775D+02
      2  -0.122943D+01  0.264080D+01  0.445850D+00 -0.476910D+02  0.850472D+01
      3  -0.389641D+01 -0.166467D+01 -0.939631D+00 -0.392412D+02  0.477273D+01
      4   0.332544D+01  0.702393D+01  0.606228D+01 -0.232423D+01  0.105702D+02
      5   0.728203D+01  0.580768D+01 -0.921033D-01  0.275235D+02 -0.529734D+01
      6   0.244058D+01  0.672440D+01  0.138499D+01  0.126420D+01 -0.231968D+00
               111           112           113           114           115 
      1   0.204913D+02 -0.357777D+02  0.109617D+02 -0.596998D+01  0.400454D+02
      2  -0.117573D+02  0.205700D+02 -0.459656D+01  0.426123D+01 -0.223653D+02
      3  -0.873397D+01  0.152077D+02 -0.636517D+01  0.170875D+01 -0.176801D+02
      4  -0.259633D+01  0.118034D+02 -0.619786D+01  0.649991D+01 -0.967439D+00
      5   0.186027D+02 -0.923761D+01  0.774917D+01 -0.835875D+01  0.324702D+02
      6   0.214731D+01  0.154681D+01 -0.391975D+00  0.666682D+00  0.280464D+01
               116           117           118           119           120 
      1  -0.549362D+01  0.196626D+02  0.274449D+02 -0.281797D+01 -0.116189D+02
      2   0.463690D+01 -0.157418D+02 -0.190126D+02  0.194372D+01  0.928068D+01
      3   0.856723D+00 -0.392080D+01 -0.843232D+01  0.874253D+00  0.233821D+01
      4   0.862853D+01 -0.317528D+01  0.279567D+01  0.345580D+01 -0.240156D+01
      5  -0.682357D+01  0.138445D+02 -0.160389D+02 -0.234774D+00  0.200333D+02
      6   0.116304D+01  0.258711D+00 -0.315145D+01 -0.715304D+00  0.328427D+01
               121           122           123           124           125 
      1  -0.135082D+02  0.147966D+01  0.226827D+01 -0.233397D+02 -0.189874D+01
      2   0.997679D+01 -0.577284D+00 -0.394960D+01  0.218664D+02 -0.967323D+00
      3   0.353140D+01 -0.902372D+00  0.168133D+01  0.147324D+01  0.286606D+01
      4   0.615270D+01  0.177967D+01 -0.616438D+01 -0.870475D+01 -0.906877D+01
      5   0.431788D+01 -0.623867D+01 -0.714263D+01  0.434300D+02 -0.262899D+01
      6  -0.170179D+01 -0.122279D+00  0.322542D+01  0.781708D+01  0.418509D+01
               126           127           128           129           130 
      1   0.149080D+02  0.226428D+02 -0.677702D+01 -0.964808D+01 -0.444338D+01
      2  -0.267319D+02 -0.931912D+01  0.569104D-01  0.476804D+01 -0.217817D+01
      3   0.118239D+02 -0.133237D+02  0.672011D+01  0.488004D+01  0.662155D+01
      4   0.164967D+01 -0.237933D+02  0.178380D+02  0.102409D+02  0.161312D+02
      5  -0.568748D+02 -0.178637D+02  0.710196D+01  0.133489D+02  0.555042D+01
      6  -0.118819D+02  0.949095D+01 -0.474060D+01 -0.728150D+01 -0.472085D+01
               131           132           133           134           135 
      1   0.162604D+01  0.194560D+00 -0.121486D+02  0.815259D+00  0.361296D+01
      2   0.430977D+01  0.222296D+01  0.700512D+01  0.184355D+01 -0.433840D+01
      3  -0.593581D+01 -0.241752D+01  0.514350D+01 -0.265881D+01  0.725445D+00
      4  -0.140913D+02 -0.774296D+01  0.148437D+02 -0.120776D+02 -0.146140D+02
      5  -0.708501D+01 -0.679560D+01  0.191443D+02 -0.119266D+02 -0.158090D+02
      6   0.613806D+01  0.767216D+01 -0.116744D+02  0.110808D+02  0.963411D+01
               136           137           138           139           140 
      1   0.638000D+01 -0.506108D+01  0.321443D+01 -0.122356D+01 -0.520607D+01
      2  -0.241279D+01  0.988284D+00 -0.220470D+01 -0.297212D+01  0.978728D+01
      3  -0.396721D+01  0.407280D+01 -0.100973D+01  0.419568D+01 -0.458121D+01
      4  -0.138806D+02  0.130746D+02 -0.624345D+01  0.143782D+02 -0.168198D+02
      5   0.806763D+01 -0.509520D+01  0.104503D+02 -0.547665D+01  0.104749D+02
      6  -0.650507D+01  0.462794D+01 -0.590513D+01  0.724906D+01 -0.141812D+02
               141           142           143           144           145 
      1   0.312727D+01  0.428850D+01  0.550110D+01 -0.287477D+01  0.511942D+00
      2  -0.478012D+01 -0.242553D+01 -0.641920D+01 -0.310678D+01 -0.381918D+01
      3   0.165285D+01 -0.186297D+01  0.918102D+00  0.598155D+01  0.330724D+01
      4   0.109633D+02 -0.149398D+02  0.197757D+02 -0.183141D+02  0.515849D+00
      5  -0.882791D+01  0.186253D+02 -0.163459D+02  0.222271D+02  0.109195D+01
      6   0.137799D+02 -0.155458D+02  0.214015D+02 -0.230462D+02  0.951744D+00
               146           147           148           149           150 
      1  -0.802085D+00 -0.772512D+00  0.404060D+00 -0.472180D+01 -0.100298D+01
      2   0.163244D+01 -0.621565D+00  0.107836D+01  0.409009D+01  0.376322D+01
      3  -0.830352D+00  0.139408D+01 -0.148242D+01  0.631715D+00 -0.276025D+01
      4   0.240215D+01  0.174265D+01 -0.293805D+00  0.571766D+00 -0.462834D-01
      5  -0.402850D+00  0.586249D+01 -0.103605D+00  0.190705D+00  0.619716D-01
      6   0.104970D+01  0.138711D+01  0.311331D+00  0.275095D+01  0.225150D+01
               151           152           153           154           155 
      1  -0.919852D+00 -0.675840D+01 -0.199936D+02 -0.151622D+01 -0.333162D+01
      2  -0.146683D+01  0.451184D+01 -0.952526D+01  0.659999D+01  0.496621D+01
      3   0.238669D+01  0.224656D+01  0.295189D+02 -0.508377D+01 -0.163459D+01
      4   0.354155D+01  0.409685D+00  0.262368D+01  0.137634D+00  0.107491D+02
      5   0.371470D+01 -0.433584D+00 -0.666365D+00  0.226891D+00  0.925450D+00
      6   0.158726D+01  0.867583D+01  0.237684D+02 -0.531501D+00  0.477643D+00
               156           157           158           159           160 
      1  -0.424950D+00 -0.172020D+01 -0.494048D+02 -0.252473D+01 -0.201816D-01
      2  -0.125663D+00  0.170004D+01  0.826228D+02  0.280838D+01  0.112137D+00
      3   0.550613D+00  0.201639D-01 -0.332180D+02 -0.283649D+00 -0.919559D-01
      4  -0.205699D+00  0.760496D+01 -0.296683D+01 -0.384388D-01 -0.968283D+00
      5   0.164377D+01  0.341489D+00  0.759487D+00 -0.268242D+00  0.543991D+00
      6   0.829629D+00  0.371804D+00  0.716824D+01  0.781741D+01  0.708652D+00
               161           162           163           164           165 
      1   0.279557D+01 -0.639762D+01  0.205846D+02 -0.234942D+01 -0.597280D+01
      2  -0.540543D+01  0.596918D+01 -0.324184D+01  0.108380D+02  0.917032D+01
      3   0.260986D+01  0.428442D+00 -0.173427D+02 -0.848855D+01 -0.319751D+01
      4   0.876739D+00 -0.606375D-01 -0.534364D+01 -0.109125D+02  0.430698D+00
      5  -0.622080D+00  0.393992D-01 -0.396325D+01 -0.176305D+01 -0.161501D+02
      6   0.975372D+01  0.108549D+01  0.219513D+01 -0.120380D+02 -0.370439D+01
               166           167           168           169           170 
      1  -0.263159D+01 -0.729657D+00 -0.643766D+00 -0.757905D+01  0.816731D+00
      2   0.161842D+02 -0.746844D+01  0.163405D+02  0.111586D+02  0.120376D+02
      3  -0.135526D+02  0.819810D+01 -0.156967D+02 -0.357958D+01 -0.128543D+02
      4  -0.185598D+02  0.245968D+02 -0.138708D+02  0.386572D+00 -0.767102D+01
      5  -0.382582D+01 -0.207152D+02 -0.149647D+02 -0.231279D+02 -0.115201D+02
      6  -0.166447D+02  0.179309D+02 -0.104195D+02 -0.507059D+01 -0.655503D+01
               171           172           173           174           175 
      1  -0.110076D+02 -0.602425D+01 -0.109799D+02 -0.247994D+02 -0.164068D+02
      2   0.998970D+01 -0.100255D+01  0.102994D+02  0.113214D+02  0.167604D+02
      3   0.101788D+01  0.702680D+01  0.680503D+00  0.134781D+02 -0.353676D+00
      4  -0.866327D+01 -0.966895D+01 -0.284474D+02 -0.697613D+01 -0.461550D+02
      5  -0.957047D+01 -0.271746D+02 -0.703904D+01 -0.998237D+01 -0.113755D+02
      6  -0.136265D+02  0.766825D-01  0.238626D+01 -0.415517D+00  0.357155D+01
               176           177           178           179           180 
      1  -0.267507D+02 -0.108144D+02 -0.321386D+02 -0.109188D+02 -0.869203D+01
      2   0.393437D+01  0.242798D+01  0.117663D+02  0.177605D+01  0.144054D+02
      3   0.228163D+02  0.838637D+01  0.203723D+02  0.914272D+01 -0.571336D+01
      4   0.369880D+02 -0.299619D+01 -0.114146D+02 -0.458666D+01 -0.195012D+02
      5  -0.127147D+01 -0.192626D+02 -0.170790D+02 -0.188894D+02  0.300823D+02
      6  -0.470274D+01 -0.122075D+01 -0.155647D+01  0.138549D+01  0.160117D+01
               181           182           183           184           185 
      1  -0.137628D+02 -0.237741D+01  0.109600D+02 -0.681337D+00 -0.338846D+01
      2   0.399665D+01 -0.145995D+00  0.137008D+01 -0.121022D+01  0.279127D+01
      3   0.976615D+01  0.252340D+01 -0.123300D+02  0.189156D+01  0.597187D+00
      4   0.792280D+01  0.147906D+01 -0.920926D+00  0.378894D+01 -0.139278D+01
      5  -0.126647D+02  0.168974D+00  0.288482D+01 -0.134784D+00  0.783080D+00
      6  -0.205822D+01 -0.365333D+01  0.516569D+01 -0.122468D+01 -0.280869D+01
               186           187           188           189           190 
      1   0.165091D+01  0.744382D+01  0.152587D+01 -0.689097D+01  0.800806D+01
      2  -0.238298D+01  0.534900D+00 -0.118158D+01 -0.317528D+01 -0.128556D+02
      3   0.732076D+00 -0.797872D+01 -0.344291D+00  0.100662D+02  0.484749D+01
      4   0.111275D+01 -0.111417D+01 -0.671789D+00  0.270645D+01  0.443243D+01
      5   0.240234D+01  0.676461D+01  0.166268D+01 -0.316194D+01  0.203128D+02
      6   0.370964D+01  0.323384D+01  0.301556D+01 -0.156095D+01  0.379404D+01
               191           192           193           194           195 
      1   0.341771D+01  0.335896D+01  0.494783D+01 -0.318831D+00 -0.307274D+01
      2  -0.557472D+01 -0.128995D+02 -0.955654D+01 -0.301627D+01 -0.116852D+02
      3   0.215701D+01  0.954055D+01  0.460871D+01  0.333510D+01  0.147579D+02
      4   0.660389D+01  0.268490D+01  0.860672D+01  0.572798D+01  0.828280D+01
      5   0.598884D+01  0.221096D+02  0.133333D+02  0.115223D+02  0.179365D+02
      6   0.619225D+01  0.315390D+01  0.812223D+01  0.797390D+01  0.105973D+02
               196           197           198           199           200 
      1   0.253471D+01 -0.177159D+01 -0.697000D+01  0.423744D+01 -0.354081D+01
      2  -0.129192D+02 -0.653891D+01 -0.213954D+02 -0.868371D-01 -0.307445D+01
      3   0.103845D+02  0.831050D+01  0.283654D+02 -0.415061D+01  0.661526D+01
      4   0.271540D+01  0.558926D+01  0.610079D+01 -0.123740D+02  0.155904D+02
      5   0.209233D+02  0.857037D+01  0.291601D+02  0.888836D+01 -0.774338D+01
      6   0.412708D+01  0.790118D+01  0.819206D+01 -0.709002D+01  0.945937D+01
               201           202           203           204           205 
      1   0.314936D+00 -0.227280D+01 -0.116217D+02  0.711235D+01 -0.676673D+00
      2  -0.205487D+01 -0.604770D+01  0.247037D+02 -0.526312D+01 -0.194194D+01
      3   0.173993D+01  0.832049D+01 -0.130820D+02 -0.184922D+01  0.261862D+01
      4  -0.521644D+01  0.193392D+02 -0.333172D+02  0.117343D+02 -0.175905D+01
      5   0.919493D+01 -0.943220D+01  0.154290D+02 -0.928365D+01  0.655445D+01
      6  -0.440267D+01  0.124444D+02 -0.296119D+02  0.166702D+02 -0.345232D+01
               206           207           208           209           210 
      1   0.399611D+01 -0.246274D+01  0.408954D+01  0.405043D+01 -0.644362D+01
      2  -0.746117D+00  0.270699D+00 -0.489141D+01 -0.262079D+01  0.506650D+01
      3  -0.324999D+01  0.219204D+01  0.801866D+00 -0.142965D+01  0.137712D+01
      4   0.406715D+01 -0.500546D+01  0.403724D+01  0.420819D+01 -0.110866D+01
      5  -0.498240D+01  0.597460D+01 -0.775908D+01 -0.171124D+01  0.113703D+02
      6   0.104032D+02 -0.606101D+01 -0.978085D+00 -0.464144D+00  0.211634D+00
               211           212           213           214           215 
      1   0.774739D+01  0.211658D+01  0.567525D+00 -0.128052D+02  0.146253D+01
      2  -0.562248D+01 -0.118546D+01  0.303130D+01  0.120774D+02  0.234314D+01
      3  -0.212491D+01 -0.931118D+00 -0.359882D+01  0.727820D+00 -0.380568D+01
      4   0.859514D+01  0.260693D+01 -0.747371D+01 -0.175636D+01 -0.872522D+01
      5  -0.476925D+01 -0.724425D+01  0.131445D+02  0.235033D+02  0.102722D+02
      6  -0.185876D+01 -0.220669D+01  0.502913D+01  0.682625D+00  0.487575D+01
               216           217           218           219           220 
      1   0.129183D+01  0.235158D+02 -0.136627D+02  0.122818D+01 -0.249836D+02
      2  -0.190607D+02 -0.693569D+01  0.302209D+01 -0.534548D+00  0.328653D+01
      3   0.177688D+02 -0.165801D+02  0.106406D+02 -0.693633D+00  0.216971D+02
      4   0.105208D+02 -0.198270D+02  0.227246D+02  0.159243D+01  0.406570D+02
      5  -0.482478D+02 -0.576359D+00  0.253336D+01  0.532490D+01  0.619346D+01
      6  -0.180885D+01  0.203511D+01 -0.217306D+01 -0.104800D+01 -0.428817D+01
               221           222           223           224           225 
      1   0.132830D+02  0.234855D+01  0.515355D+01  0.711733D+00  0.354148D+01
      2   0.111865D+02 -0.165104D+01 -0.154439D+01 -0.803040D+00 -0.155641D+01
      3  -0.244694D+02 -0.697517D+00 -0.360916D+01  0.913072D-01 -0.198507D+01
      4  -0.556203D+02 -0.140655D+01  0.710966D+00  0.918104D+00 -0.511668D+01
      5  -0.271888D+01 -0.812259D+01  0.940738D+01 -0.551449D+01 -0.285456D+01
      6   0.700042D+01  0.581041D+01 -0.294239D+01  0.524843D+01  0.291776D+00
               226           227           228           229           230 
      1   0.582911D+02  0.158683D+02  0.165034D+02  0.315156D+02  0.155099D+02
      2  -0.282948D+02 -0.765249D+01 -0.809207D+01 -0.148993D+02 -0.361530D+01
      3  -0.299963D+02 -0.821578D+01 -0.841136D+01 -0.166163D+02 -0.118946D+02
      4   0.185187D+02  0.161068D+02  0.638257D+01  0.264438D+02  0.142424D+02
      5   0.172572D+02  0.576160D+01  0.138529D+02  0.924261D+01  0.738631D+01
      6   0.764347D+00 -0.228374D+00 -0.270625D-01  0.711480D+00  0.177107D+01
               231           232           233           234 
      1   0.738838D+01  0.338715D+02  0.725805D+01  0.131717D+02
      2  -0.278760D+01 -0.170823D+02 -0.297899D+01 -0.975854D+01
      3  -0.460077D+01 -0.167892D+02 -0.427906D+01 -0.341316D+01
      4   0.855238D+01  0.108960D+02  0.108509D+02  0.951424D+01
      5   0.118919D+02  0.208512D+02  0.914295D+01  0.150601D+02
      6   0.228953D+01  0.165403D+01  0.167197D+01  0.156292D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 20:41:27 2021, MaxMem= 10737418240 cpu:           52854.5 elap:            3307.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44155 -10.43684 -10.42911 -10.42909 -10.42879
 Alpha  occ. eigenvalues --  -10.42828 -10.42625 -10.42212 -10.42158 -10.41814
 Alpha  occ. eigenvalues --   -1.02049  -0.94908  -0.88682  -0.86290  -0.82554
 Alpha  occ. eigenvalues --   -0.81409  -0.75892  -0.70488  -0.65117  -0.61789
 Alpha  occ. eigenvalues --   -0.59593  -0.57660  -0.56189  -0.54346  -0.53612
 Alpha  occ. eigenvalues --   -0.51415  -0.50929  -0.50056  -0.49104  -0.48715
 Alpha  occ. eigenvalues --   -0.47043  -0.46295  -0.44359  -0.42601  -0.41482
 Alpha  occ. eigenvalues --   -0.38139  -0.35801  -0.31635
 Alpha virt. eigenvalues --   -0.01191  -0.00380  -0.00291  -0.00119   0.01131
 Alpha virt. eigenvalues --    0.01328   0.01478   0.01757   0.01986   0.03511
 Alpha virt. eigenvalues --    0.03766   0.03857   0.04220   0.04933   0.05318
 Alpha virt. eigenvalues --    0.06175   0.07175   0.08073   0.08673   0.09140
 Alpha virt. eigenvalues --    0.10057   0.10300   0.10500   0.10907   0.11166
 Alpha virt. eigenvalues --    0.11607   0.11683   0.11965   0.12128   0.12273
 Alpha virt. eigenvalues --    0.12984   0.13266   0.13783   0.14033   0.14603
 Alpha virt. eigenvalues --    0.15052   0.15574   0.15922   0.16294   0.16617
 Alpha virt. eigenvalues --    0.16842   0.17214   0.17489   0.17946   0.18622
 Alpha virt. eigenvalues --    0.18948   0.19967   0.20598   0.21259   0.22665
 Alpha virt. eigenvalues --    0.23437   0.24159   0.24513   0.24804   0.25432
 Alpha virt. eigenvalues --    0.25672   0.26442   0.26959   0.27383   0.28163
 Alpha virt. eigenvalues --    0.28655   0.29018   0.29702   0.29856   0.30182
 Alpha virt. eigenvalues --    0.30585   0.31735   0.32871   0.33495   0.34356
 Alpha virt. eigenvalues --    0.34911   0.35187   0.36372   0.37363   0.37688
 Alpha virt. eigenvalues --    0.38293   0.38901   0.38999   0.39826   0.40197
 Alpha virt. eigenvalues --    0.40593   0.40969   0.41109   0.41649   0.42326
 Alpha virt. eigenvalues --    0.42737   0.43603   0.43918   0.44033   0.44315
 Alpha virt. eigenvalues --    0.44769   0.45433   0.45832   0.46799   0.47316
 Alpha virt. eigenvalues --    0.47519   0.48119   0.48599   0.49130   0.50307
 Alpha virt. eigenvalues --    0.50418   0.50663   0.50955   0.51346   0.52444
 Alpha virt. eigenvalues --    0.53359   0.53700   0.54089   0.54556   0.54980
 Alpha virt. eigenvalues --    0.55926   0.55990   0.56288   0.56801   0.57801
 Alpha virt. eigenvalues --    0.58198   0.58570   0.59042   0.59814   0.60318
 Alpha virt. eigenvalues --    0.60938   0.61750   0.61949   0.62551   0.63488
 Alpha virt. eigenvalues --    0.63831   0.64620   0.65726   0.66125   0.66408
 Alpha virt. eigenvalues --    0.66660   0.67486   0.67859   0.68358   0.68500
 Alpha virt. eigenvalues --    0.69334   0.69985   0.70886   0.71035   0.72031
 Alpha virt. eigenvalues --    0.72472   0.72526   0.72830   0.74301   0.74427
 Alpha virt. eigenvalues --    0.74966   0.75045   0.75900   0.76412   0.76913
 Alpha virt. eigenvalues --    0.77140   0.77917   0.78886   0.79133   0.79844
 Alpha virt. eigenvalues --    0.80125   0.81534   0.81978   0.82463   0.83262
 Alpha virt. eigenvalues --    0.84032   0.84865   0.85270   0.85886   0.86270
 Alpha virt. eigenvalues --    0.87387   0.87725   0.88898   0.90298   0.91019
 Alpha virt. eigenvalues --    0.91995   0.93143   0.94960   0.95663   0.96848
 Alpha virt. eigenvalues --    0.97954   0.98513   1.00185   1.01772   1.02209
 Alpha virt. eigenvalues --    1.02542   1.04064   1.05450   1.06003   1.06495
 Alpha virt. eigenvalues --    1.07008   1.07941   1.09834   1.10737   1.11770
 Alpha virt. eigenvalues --    1.13824   1.14814   1.16453   1.17951   1.19265
 Alpha virt. eigenvalues --    1.20983   1.23054   1.23842   1.25678   1.27548
 Alpha virt. eigenvalues --    1.28250   1.29990   1.31648   1.32407   1.34085
 Alpha virt. eigenvalues --    1.36106   1.38447   1.39834   1.41576   1.42269
 Alpha virt. eigenvalues --    1.47093   1.49123   1.49650   1.50362   1.51635
 Alpha virt. eigenvalues --    1.53157   1.54284   1.54922   1.55855   1.56553
 Alpha virt. eigenvalues --    1.56769   1.58971   1.59650   1.62371   1.63653
 Alpha virt. eigenvalues --    1.64717   1.65935   1.66508   1.67169   1.68474
 Alpha virt. eigenvalues --    1.69453   1.70360   1.70894   1.72492   1.73578
 Alpha virt. eigenvalues --    1.74702   1.76039   1.76287   1.76975   1.77910
 Alpha virt. eigenvalues --    1.80857   1.81514   1.82975   1.84008   1.86090
 Alpha virt. eigenvalues --    1.86966   1.88622   1.89479   1.90021   1.91173
 Alpha virt. eigenvalues --    1.92402   1.93849   1.95753   1.96462   1.97061
 Alpha virt. eigenvalues --    1.97644   1.99780   2.00171   2.01822   2.02314
 Alpha virt. eigenvalues --    2.04686   2.05108   2.06737   2.07350   2.08800
 Alpha virt. eigenvalues --    2.08931   2.09752   2.11536   2.12302   2.13745
 Alpha virt. eigenvalues --    2.14113   2.15924   2.16862   2.18190   2.18752
 Alpha virt. eigenvalues --    2.20426   2.22293   2.22889   2.24626   2.25325
 Alpha virt. eigenvalues --    2.26690   2.27208   2.28813   2.30716   2.32335
 Alpha virt. eigenvalues --    2.34238   2.34426   2.35908   2.37202   2.38039
 Alpha virt. eigenvalues --    2.38543   2.40244   2.41277   2.42344   2.43405
 Alpha virt. eigenvalues --    2.44936   2.47316   2.49771   2.50439   2.51801
 Alpha virt. eigenvalues --    2.52276   2.54169   2.58262   2.58816   2.60551
 Alpha virt. eigenvalues --    2.62551   2.64160   2.64594   2.65908   2.66602
 Alpha virt. eigenvalues --    2.68149   2.69611   2.71753   2.73420   2.75009
 Alpha virt. eigenvalues --    2.76955   2.78984   2.81029   2.82780   2.84304
 Alpha virt. eigenvalues --    2.87139   2.89146   2.91042   2.93197   2.95333
 Alpha virt. eigenvalues --    3.00140   3.04696   3.06302   3.13102   3.14709
 Alpha virt. eigenvalues --    3.17855   3.25878   3.62741   3.67241   4.07076
 Alpha virt. eigenvalues --    4.40486
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   17.398875  -0.693720  -2.839591  -1.342069  -1.133781  -1.257044
     2  C   -0.693720  14.252040  -0.712489  -0.214468   0.082306  -0.141627
     3  C   -2.839591  -0.712489  23.680715  -7.819528  -0.825631  -2.515174
     4  C   -1.342069  -0.214468  -7.819528  14.786697  -0.837108  -0.625817
     5  C   -1.133781   0.082306  -0.825631  -0.837108   8.074130  -0.610242
     6  C   -1.257044  -0.141627  -2.515174  -0.625817  -0.610242  10.782963
     7  C   -0.128429  -1.955613  -0.358166  -0.189856   0.050062   0.200874
     8  C   -1.613313  -2.290804  -0.477084   0.251347   0.218888   0.008139
     9  H   -2.621254   0.837236   0.774004   0.122394   0.090840   0.043901
    10  H    0.823993  -2.350612   0.320325   0.055587  -0.006899  -0.109082
    11  H    0.387706  -0.229143  -3.186340   1.576145   0.014879   0.246253
    12  H    0.017798   0.003195  -0.129050   0.776405  -0.617337   0.082353
    13  H   -0.058878   0.001938  -0.015104  -0.230360   0.520649   0.062572
    14  H   -0.008956   0.017085   0.051477  -0.008362   0.539408  -0.242465
    15  H    0.039163   0.149651   0.204633   0.492296  -0.194705  -0.957252
    16  H   -0.068727  -0.221943  -0.003785   0.051209   0.143433  -0.023009
    17  H   -0.044689  -0.418622  -0.085176   0.105593   0.044872  -0.171858
    18  H   -0.089292   0.839482   0.019739  -0.029052  -0.007284   0.255509
    19  C   -0.584280  -1.131165  -0.672550   0.022798  -0.159183  -0.058580
    20  C   -0.349202  -0.222716  -0.524227   0.186213   0.004012   0.124036
    21  H   -0.216567  -0.214551   0.019825   0.034663  -0.079640  -0.114278
    22  H    0.231472  -0.318375  -0.049136  -0.001794  -0.002745  -0.001521
    23  H   -0.336577   0.268099   0.075720   0.123744   0.018357   0.042921
    24  H   -0.174688  -0.111423  -0.093412   0.015965   0.000977  -0.001535
    25  H   -0.065572   0.014400   0.080425   0.015515   0.002951   0.004612
    26  H    0.051040  -0.068217  -0.021498  -0.004063  -0.000254   0.005801
               7          8          9         10         11         12
     1  C   -0.128429  -1.613313  -2.621254   0.823993   0.387706   0.017798
     2  C   -1.955613  -2.290804   0.837236  -2.350612  -0.229143   0.003195
     3  C   -0.358166  -0.477084   0.774004   0.320325  -3.186340  -0.129050
     4  C   -0.189856   0.251347   0.122394   0.055587   1.576145   0.776405
     5  C    0.050062   0.218888   0.090840  -0.006899   0.014879  -0.617337
     6  C    0.200874   0.008139   0.043901  -0.109082   0.246253   0.082353
     7  C    8.785658  -0.150878  -0.120506   0.161753   0.061962  -0.040802
     8  C   -0.150878  12.029166   0.086808   0.141325   0.004905  -0.018765
     9  H   -0.120506   0.086808   2.971106  -0.175615  -0.145399   0.008256
    10  H    0.161753   0.141325  -0.175615   3.307860   0.017638  -0.000655
    11  H    0.061962   0.004905  -0.145399   0.017638   2.898955  -0.082240
    12  H   -0.040802  -0.018765   0.008256  -0.000655  -0.082240   1.669547
    13  H    0.011777   0.019742   0.003867   0.001154   0.006146  -0.199723
    14  H    0.027671  -0.017032   0.003077  -0.000572   0.009895  -0.249778
    15  H    0.035502  -0.071772   0.009026   0.023789  -0.016897   0.035382
    16  H    0.036847   0.028083   0.005473   0.015072   0.018150  -0.005575
    17  H    0.094365  -0.035240  -0.005706   0.098841   0.019560  -0.018366
    18  H   -0.793839   0.000631   0.009737  -0.278477  -0.004893   0.001190
    19  C   -0.085021  -0.496915  -0.063893  -0.084537   0.086861   0.014710
    20  C   -0.192789  -1.499948  -0.131417  -0.183988   0.051182   0.002245
    21  H   -0.161587  -0.001216  -0.000473   0.013431  -0.019381   0.022758
    22  H    0.047896   0.142816  -0.005934   0.010766   0.007540  -0.000360
    23  H   -0.029461   0.421146   0.016814  -0.014207   0.015194   0.001186
    24  H    0.070484   0.750310  -0.064288  -0.074477   0.012865  -0.000217
    25  H   -0.006587  -0.083496   0.002536   0.018231   0.002516   0.000435
    26  H   -0.009409  -0.069518   0.017600  -0.000711  -0.002204   0.000101
              13         14         15         16         17         18
     1  C   -0.058878  -0.008956   0.039163  -0.068727  -0.044689  -0.089292
     2  C    0.001938   0.017085   0.149651  -0.221943  -0.418622   0.839482
     3  C   -0.015104   0.051477   0.204633  -0.003785  -0.085176   0.019739
     4  C   -0.230360  -0.008362   0.492296   0.051209   0.105593  -0.029052
     5  C    0.520649   0.539408  -0.194705   0.143433   0.044872  -0.007284
     6  C    0.062572  -0.242465  -0.957252  -0.023009  -0.171858   0.255509
     7  C    0.011777   0.027671   0.035502   0.036847   0.094365  -0.793839
     8  C    0.019742  -0.017032  -0.071772   0.028083  -0.035240   0.000631
     9  H    0.003867   0.003077   0.009026   0.005473  -0.005706   0.009737
    10  H    0.001154  -0.000572   0.023789   0.015072   0.098841  -0.278477
    11  H    0.006146   0.009895  -0.016897   0.018150   0.019560  -0.004893
    12  H   -0.199723  -0.249778   0.035382  -0.005575  -0.018366   0.001190
    13  H    1.109168  -0.184721  -0.011316  -0.015949   0.009314  -0.000673
    14  H   -0.184721   1.088200  -0.047846   0.022486   0.017964  -0.001913
    15  H   -0.011316  -0.047846   2.218951  -0.461689  -0.240207   0.070212
    16  H   -0.015949   0.022486  -0.461689   1.686876   0.216356  -0.225004
    17  H    0.009314   0.017964  -0.240207   0.216356   2.696919  -0.692672
    18  H   -0.000673  -0.001913   0.070212  -0.225004  -0.692672   2.015807
    19  C   -0.016390   0.010427   0.024088  -0.026398  -0.132762   0.050249
    20  C    0.001970  -0.003836  -0.010063   0.016053   0.013291   0.030031
    21  H   -0.008409  -0.019340   0.027405  -0.013336   0.003374   0.004299
    22  H   -0.000516   0.001952   0.004130  -0.003986  -0.035152   0.016336
    23  H   -0.000730   0.006165  -0.004436   0.004811   0.015580   0.001375
    24  H   -0.000098   0.000467  -0.003228   0.001324   0.002801   0.005526
    25  H    0.000191  -0.000302   0.000477   0.000218  -0.003867   0.001566
    26  H    0.000043  -0.000313  -0.000257   0.001566   0.013362  -0.004470
              19         20         21         22         23         24
     1  C   -0.584280  -0.349202  -0.216567   0.231472  -0.336577  -0.174688
     2  C   -1.131165  -0.222716  -0.214551  -0.318375   0.268099  -0.111423
     3  C   -0.672550  -0.524227   0.019825  -0.049136   0.075720  -0.093412
     4  C    0.022798   0.186213   0.034663  -0.001794   0.123744   0.015965
     5  C   -0.159183   0.004012  -0.079640  -0.002745   0.018357   0.000977
     6  C   -0.058580   0.124036  -0.114278  -0.001521   0.042921  -0.001535
     7  C   -0.085021  -0.192789  -0.161587   0.047896  -0.029461   0.070484
     8  C   -0.496915  -1.499948  -0.001216   0.142816   0.421146   0.750310
     9  H   -0.063893  -0.131417  -0.000473  -0.005934   0.016814  -0.064288
    10  H   -0.084537  -0.183988   0.013431   0.010766  -0.014207  -0.074477
    11  H    0.086861   0.051182  -0.019381   0.007540   0.015194   0.012865
    12  H    0.014710   0.002245   0.022758  -0.000360   0.001186  -0.000217
    13  H   -0.016390   0.001970  -0.008409  -0.000516  -0.000730  -0.000098
    14  H    0.010427  -0.003836  -0.019340   0.001952   0.006165   0.000467
    15  H    0.024088  -0.010063   0.027405   0.004130  -0.004436  -0.003228
    16  H   -0.026398   0.016053  -0.013336  -0.003986   0.004811   0.001324
    17  H   -0.132762   0.013291   0.003374  -0.035152   0.015580   0.002801
    18  H    0.050249   0.030031   0.004299   0.016336   0.001375   0.005526
    19  C    7.882414  -0.282879   0.635305   0.015711  -0.266925  -0.129336
    20  C   -0.282879   7.467338  -0.005606   0.161869  -0.131713  -0.204923
    21  H    0.635305  -0.005606   2.423973  -0.438649  -0.592219  -0.039958
    22  H    0.015711   0.161869  -0.438649   1.685114  -0.374752   0.016657
    23  H   -0.266925  -0.131713  -0.592219  -0.374752   1.998021   0.015327
    24  H   -0.129336  -0.204923  -0.039958   0.016657   0.015327   2.145185
    25  H    0.022550   0.269357   0.025394   0.017162  -0.051709  -0.413476
    26  H    0.123927   0.263985   0.015577  -0.045030   0.017866  -0.401743
              25         26
     1  C   -0.065572   0.051040
     2  C    0.014400  -0.068217
     3  C    0.080425  -0.021498
     4  C    0.015515  -0.004063
     5  C    0.002951  -0.000254
     6  C    0.004612   0.005801
     7  C   -0.006587  -0.009409
     8  C   -0.083496  -0.069518
     9  H    0.002536   0.017600
    10  H    0.018231  -0.000711
    11  H    0.002516  -0.002204
    12  H    0.000435   0.000101
    13  H    0.000191   0.000043
    14  H   -0.000302  -0.000313
    15  H    0.000477  -0.000257
    16  H    0.000218   0.001566
    17  H   -0.003867   0.013362
    18  H    0.001566  -0.004470
    19  C    0.022550   0.123927
    20  C    0.269357   0.263985
    21  H    0.025394   0.015577
    22  H    0.017162  -0.045030
    23  H   -0.051709   0.017866
    24  H   -0.413476  -0.401743
    25  H    1.545084  -0.295965
    26  H   -0.295965   1.514925
 Mulliken charges:
               1
     1  C    0.676582
     2  C    0.830057
     3  C    1.101079
     4  C   -1.314092
     5  C    0.669045
     6  C    0.969549
     7  C    0.638095
     8  C   -1.277326
     9  H   -0.668189
    10  H   -0.729935
    11  H   -0.751856
    12  H   -0.272690
    13  H   -0.005662
    14  H   -0.010836
    15  H   -0.315036
    16  H   -0.178555
    17  H   -0.467874
    18  H   -0.194121
    19  C    1.301773
    20  C    1.151727
    21  H   -0.300793
    22  H   -0.081472
    23  H   -0.239597
    24  H   -0.325087
    25  H   -0.102647
    26  H   -0.102140
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.008394
     2  C    0.100122
     3  C    0.349223
     4  C   -1.314092
     5  C    0.379858
     6  C    0.475958
     7  C   -0.023901
     8  C   -1.277326
    19  C    0.679911
    20  C    0.621854
 Electronic spatial extent (au):  <R**2>=           1604.5868
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1568    Y=              0.2958    Z=              0.0975  Tot=              0.3487
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.3720   YY=            -62.5586   ZZ=            -64.1165
   XY=             -0.2980   XZ=             -1.0807   YZ=              0.0220
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6437   YY=              0.4571   ZZ=             -1.1008
   XY=             -0.2980   XZ=             -1.0807   YZ=              0.0220
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.4145  YYY=             -0.7740  ZZZ=              0.0685  XYY=             -0.6532
  XXY=              0.4921  XXZ=              0.9347  XZZ=              1.8010  YZZ=              1.9511
  YYZ=             -1.8662  XYZ=             -0.1980
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1497.7101 YYYY=           -445.7485 ZZZZ=           -311.0923 XXXY=              0.0280
 XXXZ=              3.3735 YYYX=              2.0974 YYYZ=             -1.2417 ZZZX=             -9.1704
 ZZZY=              1.4082 XXYY=           -323.4939 XXZZ=           -297.1996 YYZZ=           -129.9499
 XXYZ=             -0.7972 YYXZ=              1.0407 ZZXY=             -0.7351
 N-N= 5.488339666672D+02 E-N=-2.001312523520D+03  KE= 3.878376870534D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 20:41:28 2021, MaxMem= 10737418240 cpu:               8.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.60238550D-02 1.20008282D-01 3.16407782D-02
 Polarizability= 1.39876976D+02-4.60708650D+00 1.07771866D+02
                -2.74844967D+00 1.31010471D+00 9.63720762D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3189    1.3161       -2.6205   -2.6131
 2     -1.3189   -1.3161       -0.6682   -0.6691      -16.4912  -16.5113
 3      2.6205    2.6131       22.1727   22.1841        0.6715    0.6691
 4      0.6682    0.6691        0.0000    0.0000        2.6182    2.6131
 5     -5.6815   -5.6728       -2.6182   -2.6131        1.3141    1.3161
 6     -0.6715   -0.6691       -1.3141   -1.3161        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.9484   -3.9484       -7.8392   -7.8392
 2      2.0072    2.0072       -0.0000    0.0000       -7.8392   -7.8392
 3      2.0072    2.0072       -3.9484   -3.9484        0.0000    0.0000
 4     -3.9484   -3.9484       -2.0072   -2.0072      -49.5338  -49.5338
 5      7.8392    7.8392       66.5522   66.5522        2.0072    2.0072
 6    -17.0184  -17.0184       -7.8392   -7.8392        3.9484    3.9484
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0001    0.0000       -4.9461   -5.2645       10.3927   10.4523
 2      5.1087    5.2645        2.6393    2.6762       65.7103   66.0451
 3    -10.3194  -10.4523      -88.9735  -88.7362       -2.7362   -2.6762
 4     -2.7078   -2.6762        0.0742    0.0000      -10.1579  -10.4523
 5     22.6231   22.6912       10.0767   10.4523       -5.2855   -5.2645
 6      2.3694    2.6762        5.4947    5.2645        0.1036    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4497    0.0000      -16.4974  -16.8877      -26.7647  -26.5633
 2     16.0615   16.8877       17.7340   18.2004        1.0522    2.0362
 3     26.6248   26.5633       24.9348   25.0814      -18.8934  -18.2004
 4    -18.0640  -18.2004       -0.3138    0.0000       26.4107   26.5633
 5    -26.7150  -27.1175      -26.1791  -26.5633      -17.1725  -16.8877
 6     18.4591   18.2004       16.7526   16.8877        0.0560    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -29.3639  -29.6838       26.1045   26.1272       21.3277   21.0009
 2    -51.7332  -51.5559       13.0511   13.1328       21.1961   21.0009
 3    -51.3555  -51.5559       25.9146   26.1272       29.4239   29.0678
 4     12.0349   12.9945       21.1165   21.8721       20.0091   20.7806
 5      8.3664    8.0669       34.9974   35.3516      -21.8800  -21.8721
 6    -54.9259  -56.1322       -7.0191   -8.0669      -13.0569  -12.9945
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0004    0.0005    4.8777    5.4116   13.4147
 Low frequencies ---   93.3402  116.1376  190.9249
 Diagonal vibrational polarizability:
        2.1315926       1.4869538       3.6037951
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3381               116.1348               190.9233
 Red. masses --      2.7957                 2.2039                 1.2096
 Frc consts  --      0.0143                 0.0175                 0.0260
 IR Inten    --      0.2720                 0.1556                 0.2871
 RamAct Fr= 1--      1.4149                 0.9752                 0.5131
  Dep-P Fr= 1--      0.6625                 0.6065                 0.6443
  Dep-U Fr= 1--      0.7970                 0.7551                 0.7837
 Alpha2 Fr= 1--      0.0022                 0.0026                 0.0010
 Beta2  Fr= 1--      0.1879                 0.1227                 0.0670
 AlphaG Fr= 1--     -0.0065                -0.0073                -0.0180
 Gamma2 Fr= 1--      0.1467                 0.1099                -0.1291
 Delta2 Fr= 1--     -0.0211                 0.1840                 0.1321
 Raman1 Fr= 1--       5.660                  3.901                  2.053
 ROA1   Fr= 1--      13.411                 16.440                 -8.172
 CID1   Fr= 1--       2.370                  4.215                 -3.981
 Raman2 Fr= 1--       2.255                  1.473                  0.804
 ROA2   Fr= 1--       3.690                  1.165                 -4.156
 CID2   Fr= 1--       1.636                  0.791                 -5.168
 Raman3 Fr= 1--       4.511                  2.945                  1.609
 ROA3   Fr= 1--      13.411                 16.440                 -8.172
 CID3   Fr= 1--       2.973                  5.582                 -5.080
 RC180  Fr= 1--       0.594                  0.510                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.10    -0.00  -0.04   0.01    -0.00  -0.02  -0.02
     2   6    -0.03  -0.03   0.06     0.01  -0.02  -0.06    -0.01  -0.02  -0.00
     3   6    -0.02  -0.04   0.13    -0.02  -0.01  -0.01    -0.02  -0.01  -0.05
     4   6    -0.05   0.01  -0.02    -0.00  -0.02   0.04    -0.01   0.01  -0.04
     5   6    -0.11   0.07  -0.15    -0.06  -0.01  -0.16     0.00   0.03   0.04
     6   6    -0.01   0.01  -0.08     0.01  -0.04   0.21     0.02   0.00  -0.02
     7   6    -0.03  -0.07   0.08     0.06   0.02  -0.03     0.01  -0.06   0.05
     8   6     0.05   0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     9   1    -0.07  -0.06   0.08     0.01  -0.09   0.03     0.01  -0.00  -0.02
    10   1    -0.10  -0.02   0.01    -0.01  -0.05  -0.10    -0.02   0.00   0.01
    11   1    -0.03  -0.04   0.19    -0.07   0.01  -0.15    -0.03  -0.00  -0.05
    12   1    -0.11   0.06  -0.05    -0.09   0.02  -0.33    -0.09   0.06  -0.13
    13   1    -0.00   0.03  -0.32     0.02   0.12  -0.16    -0.06   0.17   0.23
    14   1    -0.27   0.19  -0.21    -0.15  -0.16  -0.15     0.16  -0.12   0.11
    15   1    -0.08   0.08  -0.18     0.14  -0.16   0.40    -0.01   0.02  -0.06
    16   1     0.14  -0.00  -0.13    -0.24   0.06   0.33     0.08   0.02  -0.04
    17   1    -0.12  -0.21   0.07     0.20   0.15  -0.02    -0.02  -0.17   0.03
    18   1     0.02  -0.06   0.21     0.00   0.01  -0.15     0.04  -0.05   0.15
    19   6     0.20   0.01   0.04     0.01   0.13   0.03    -0.00   0.06   0.02
    20   6     0.01   0.06  -0.12    -0.00  -0.05  -0.02     0.00   0.00   0.00
    21   1     0.23  -0.04   0.13     0.01   0.10   0.02    -0.04  -0.36  -0.14
    22   1     0.23   0.05  -0.02    -0.04   0.23  -0.02    -0.40   0.37   0.03
    23   1     0.27   0.04   0.01     0.07   0.17   0.14     0.43   0.25   0.19
    24   1    -0.11   0.04  -0.14    -0.01  -0.13  -0.04     0.02   0.05   0.02
    25   1     0.06   0.07  -0.14    -0.02  -0.05   0.06    -0.00  -0.00  -0.04
    26   1     0.04   0.10  -0.20     0.02  -0.01  -0.07    -0.00  -0.03   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    194.0390               207.9145               236.5019
 Red. masses --      1.7124                 1.1234                 1.2825
 Frc consts  --      0.0380                 0.0286                 0.0423
 IR Inten    --      0.2112                 0.2213                 0.2190
 RamAct Fr= 1--      0.1977                 0.0919                 0.2116
  Dep-P Fr= 1--      0.6845                 0.5804                 0.6141
  Dep-U Fr= 1--      0.8127                 0.7345                 0.7609
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0005
 Beta2  Fr= 1--      0.0268                 0.0112                 0.0268
 AlphaG Fr= 1--      0.0015                 0.0001                -0.0012
 Gamma2 Fr= 1--      0.3333                -0.0674                 0.0795
 Delta2 Fr= 1--     -0.0669                -0.0044                -0.0022
 Raman1 Fr= 1--       0.791                  0.368                  0.847
 ROA1   Fr= 1--      29.854                 -6.614                  7.561
 CID1   Fr= 1--      37.751                -17.995                  8.932
 Raman2 Fr= 1--       0.321                  0.135                  0.322
 ROA2   Fr= 1--       8.534                 -1.583                  1.925
 CID2   Fr= 1--      26.557                -11.726                  5.978
 Raman3 Fr= 1--       0.643                  0.270                  0.644
 ROA3   Fr= 1--      29.854                 -6.614                  7.561
 CID3   Fr= 1--      46.451                -24.499                 11.739
 RC180  Fr= 1--       0.625                  0.469                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.01    -0.01  -0.01  -0.03     0.01  -0.03   0.01
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.02    -0.01  -0.02  -0.03
     3   6    -0.03  -0.03   0.00    -0.00  -0.00   0.01     0.00  -0.03   0.06
     4   6    -0.00   0.00   0.01     0.01   0.00   0.03     0.00  -0.01   0.03
     5   6    -0.03   0.07   0.02    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     6   6     0.02  -0.00   0.02     0.02   0.00   0.04    -0.00  -0.01   0.01
     7   6     0.03  -0.02  -0.03     0.03  -0.01   0.01     0.00   0.03  -0.06
     8   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.02     0.01   0.00  -0.00
     9   1    -0.02  -0.08  -0.02    -0.02  -0.01  -0.03    -0.02  -0.06   0.01
    10   1     0.00  -0.08  -0.04     0.00  -0.01  -0.02     0.00  -0.05  -0.04
    11   1    -0.07  -0.03  -0.01    -0.01  -0.00   0.01    -0.01  -0.03   0.07
    12   1    -0.16   0.10  -0.14     0.14  -0.06   0.45    -0.10   0.06  -0.11
    13   1    -0.03   0.24   0.14     0.09  -0.33  -0.38     0.00   0.15   0.03
    14   1     0.06  -0.05   0.06    -0.26   0.43  -0.15    -0.02  -0.04   0.01
    15   1     0.05  -0.01   0.06     0.04  -0.00   0.06     0.02  -0.01   0.04
    16   1    -0.02   0.01   0.04    -0.01   0.01   0.05    -0.07  -0.03   0.02
    17   1     0.06   0.01  -0.03     0.05  -0.01   0.00     0.03   0.11  -0.05
    18   1     0.05  -0.02  -0.07     0.03  -0.01   0.01    -0.01   0.02  -0.15
    19   6    -0.01  -0.08  -0.03    -0.04  -0.02  -0.03     0.00  -0.06  -0.02
    20   6     0.04   0.17   0.06     0.01   0.03   0.02     0.02   0.07   0.02
    21   1    -0.01  -0.06  -0.03    -0.07  -0.24  -0.14    -0.00  -0.13  -0.05
    22   1     0.01  -0.13   0.00    -0.26   0.11   0.02    -0.05  -0.06   0.02
    23   1    -0.05  -0.10  -0.08     0.16   0.07   0.03     0.06  -0.04  -0.06
    24   1    -0.02  -0.12  -0.04     0.03   0.03   0.02     0.12   0.57   0.20
    25   1     0.34   0.28   0.40     0.06   0.05   0.04    -0.09   0.02  -0.46
    26   1    -0.16   0.55  -0.10    -0.03   0.07   0.04     0.05  -0.30   0.36
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.5026               311.4303               339.2352
 Red. masses --      1.7798                 2.6119                 2.5399
 Frc consts  --      0.0837                 0.1493                 0.1722
 IR Inten    --      1.0083                 1.2944                 0.1091
 RamAct Fr= 1--      0.5239                 1.9741                 2.0549
  Dep-P Fr= 1--      0.7498                 0.1257                 0.4310
  Dep-U Fr= 1--      0.8570                 0.2234                 0.6024
 Alpha2 Fr= 1--      0.0000                 0.0324                 0.0136
 Beta2  Fr= 1--      0.0748                 0.0735                 0.2063
 AlphaG Fr= 1--      0.0002                 0.0795                -0.0062
 Gamma2 Fr= 1--      0.3293                 0.4293                 0.5509
 Delta2 Fr= 1--      0.3046                 0.0451                -0.0703
 Raman1 Fr= 1--       2.096                  7.896                  8.220
 ROA1   Fr= 1--      41.361                 42.659                 50.635
 CID1   Fr= 1--      19.738                  5.402                  6.160
 Raman2 Fr= 1--       0.898                  0.882                  2.476
 ROA2   Fr= 1--       5.467                  9.943                 13.784
 CID2   Fr= 1--       6.089                 11.273                  5.567
 Raman3 Fr= 1--       1.796                  1.764                  4.952
 ROA3   Fr= 1--      41.361                 42.659                 50.635
 CID3   Fr= 1--      23.031                 24.182                 10.226
 RC180  Fr= 1--       0.714                 -0.553                  0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.04     0.01  -0.03   0.00    -0.03   0.03  -0.03
     2   6    -0.02  -0.03  -0.03     0.02  -0.05   0.03    -0.02   0.02  -0.08
     3   6    -0.04  -0.03  -0.11    -0.08   0.07  -0.16    -0.04   0.07   0.08
     4   6    -0.01  -0.02  -0.06    -0.06   0.06  -0.10    -0.09   0.06   0.01
     5   6    -0.02   0.06   0.05     0.01  -0.04   0.05    -0.04  -0.08  -0.00
     6   6     0.02  -0.03   0.02    -0.07   0.05   0.02    -0.08   0.06   0.00
     7   6     0.02  -0.11   0.07    -0.02   0.05  -0.10    -0.03  -0.03  -0.01
     8   6    -0.00  -0.00  -0.03    -0.02  -0.07   0.08     0.04   0.03  -0.09
     9   1     0.04  -0.01  -0.04     0.10  -0.05   0.04    -0.13   0.01  -0.06
    10   1    -0.07   0.00  -0.03     0.12  -0.08   0.08    -0.09   0.03  -0.13
    11   1    -0.06  -0.03  -0.15    -0.14   0.08  -0.23    -0.03   0.06   0.17
    12   1    -0.07   0.03   0.24     0.15  -0.07   0.22     0.08  -0.07  -0.09
    13   1    -0.02  -0.01  -0.00    -0.10  -0.25   0.05    -0.10  -0.13   0.04
    14   1     0.01   0.26   0.03     0.09   0.08   0.04    -0.05  -0.20   0.02
    15   1     0.02  -0.06   0.03     0.03  -0.04   0.16    -0.03   0.08   0.04
    16   1     0.05   0.03   0.04    -0.23   0.14   0.11    -0.09   0.10   0.02
    17   1     0.02  -0.25   0.04    -0.02   0.21  -0.07    -0.03  -0.18  -0.04
    18   1     0.05  -0.09   0.21    -0.01   0.03  -0.26     0.01  -0.02   0.14
    19   6     0.01   0.12   0.01     0.19  -0.07   0.11     0.10  -0.01  -0.10
    20   6     0.03   0.04   0.06    -0.03   0.02   0.02     0.14  -0.08   0.16
    21   1     0.05   0.47   0.17     0.23  -0.18   0.26     0.13  -0.09  -0.03
    22   1     0.32  -0.00  -0.11     0.20   0.02   0.02     0.11   0.00  -0.11
    23   1    -0.29  -0.00   0.03     0.34  -0.01   0.09     0.18   0.02  -0.17
    24   1     0.14   0.24   0.14    -0.08   0.09   0.04     0.44  -0.17   0.16
    25   1     0.00   0.02  -0.10     0.04   0.04  -0.05     0.05  -0.11   0.35
    26   1    -0.02  -0.10   0.24    -0.05   0.03   0.04     0.02  -0.10   0.31
                     10                     11                     12
                      A                      A                      A
 Frequencies --    352.8372               411.0305               444.4611
 Red. masses --      2.2999                 2.1524                 3.3233
 Frc consts  --      0.1687                 0.2142                 0.3868
 IR Inten    --      0.7453                 1.4835                 0.1243
 RamAct Fr= 1--      1.3752                 1.8382                 4.8030
  Dep-P Fr= 1--      0.2802                 0.7468                 0.2141
  Dep-U Fr= 1--      0.4377                 0.8551                 0.3527
 Alpha2 Fr= 1--      0.0150                 0.0001                 0.0628
 Beta2  Fr= 1--      0.1003                 0.2620                 0.2823
 AlphaG Fr= 1--     -0.0276                -0.0002                 0.1105
 Gamma2 Fr= 1--     -0.3353                 1.3110                 0.2948
 Delta2 Fr= 1--     -0.0820                 0.4896                 0.2444
 Raman1 Fr= 1--       5.501                  7.353                 19.212
 ROA1   Fr= 1--     -34.815                141.521                 36.123
 CID1   Fr= 1--      -6.329                 19.247                  1.880
 Raman2 Fr= 1--       1.204                  3.144                  3.388
 ROA2   Fr= 1--      -7.392                 27.547                  5.121
 CID2   Fr= 1--      -6.140                  8.763                  1.512
 Raman3 Fr= 1--       2.408                  6.287                  6.775
 ROA3   Fr= 1--     -34.815                141.521                 36.123
 CID3   Fr= 1--     -14.460                 22.510                  5.332
 RC180  Fr= 1--      -0.125                  0.710                 -0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.02    -0.09   0.05  -0.07     0.02   0.06   0.04
     2   6    -0.01   0.07   0.04     0.03   0.00   0.04     0.16  -0.00   0.11
     3   6     0.04  -0.06  -0.06    -0.06  -0.01  -0.06    -0.07   0.06  -0.02
     4   6     0.03  -0.12   0.01     0.01  -0.05   0.18    -0.16  -0.04  -0.02
     5   6    -0.08   0.14   0.04    -0.04  -0.06  -0.02    -0.19  -0.07   0.06
     6   6    -0.03  -0.13   0.00     0.10  -0.02  -0.04    -0.02  -0.04  -0.02
     7   6    -0.09   0.04  -0.03     0.06   0.06   0.02     0.03  -0.01  -0.03
     8   6     0.02   0.06  -0.00    -0.06  -0.07  -0.04     0.16  -0.06   0.00
     9   1     0.05   0.15  -0.03    -0.10   0.12  -0.09    -0.05   0.11   0.00
    10   1    -0.01   0.10   0.05     0.09  -0.01   0.08     0.17   0.01   0.13
    11   1     0.13  -0.06  -0.15    -0.07   0.01  -0.23    -0.01   0.06  -0.10
    12   1    -0.37   0.13   0.16    -0.01  -0.04  -0.15    -0.17  -0.08   0.11
    13   1     0.04   0.30  -0.01     0.06   0.00  -0.11    -0.25  -0.12   0.09
    14   1    -0.04   0.34   0.02    -0.23  -0.18  -0.04    -0.12  -0.04   0.07
    15   1    -0.05  -0.18   0.00    -0.04   0.24  -0.31     0.03   0.06  -0.02
    16   1    -0.10  -0.18  -0.00     0.36  -0.27  -0.24    -0.01  -0.04  -0.03
    17   1    -0.07   0.17  -0.00     0.06   0.20   0.05    -0.03   0.17   0.01
    18   1    -0.21   0.04  -0.15     0.02   0.05  -0.12    -0.04  -0.02  -0.18
    19   6     0.08  -0.03  -0.03     0.06   0.02   0.00    -0.09   0.04   0.00
    20   6     0.04  -0.08   0.04    -0.04   0.02   0.05     0.19   0.02  -0.09
    21   1     0.09  -0.17  -0.01     0.10   0.04   0.15    -0.17   0.19  -0.26
    22   1     0.02  -0.02   0.01     0.14   0.13  -0.15    -0.20   0.06   0.07
    23   1     0.21   0.01  -0.10     0.12   0.05   0.07    -0.25  -0.00   0.22
    24   1     0.12  -0.24  -0.00     0.04   0.07   0.08     0.08   0.09  -0.08
    25   1    -0.07  -0.11   0.21     0.05   0.05   0.05     0.29   0.05  -0.19
    26   1     0.07  -0.06  -0.01    -0.16   0.05   0.15     0.19   0.05  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.8321               522.6902               528.1664
 Red. masses --      2.6327                 3.3624                 2.5715
 Frc consts  --      0.3616                 0.5412                 0.4226
 IR Inten    --      0.5792                 1.4269                 1.4240
 RamAct Fr= 1--      2.3759                 3.0330                 1.6585
  Dep-P Fr= 1--      0.5253                 0.5514                 0.2006
  Dep-U Fr= 1--      0.6888                 0.7109                 0.3341
 Alpha2 Fr= 1--      0.0104                 0.0115                 0.0225
 Beta2  Fr= 1--      0.2728                 0.3593                 0.0924
 AlphaG Fr= 1--     -0.0061                 0.0124                 0.0506
 Gamma2 Fr= 1--      0.4399                -0.7277                 0.0752
 Delta2 Fr= 1--      0.0240                -0.4982                -0.1601
 Raman1 Fr= 1--       9.504                 12.132                  6.634
 ROA1   Fr= 1--      43.001                -85.797                  2.100
 CID1   Fr= 1--       4.525                 -7.072                  0.317
 Raman2 Fr= 1--       3.273                  4.312                  1.108
 ROA2   Fr= 1--      10.366                -13.478                  3.086
 CID2   Fr= 1--       3.167                 -3.126                  2.784
 Raman3 Fr= 1--       6.546                  8.624                  2.217
 ROA3   Fr= 1--      43.001                -85.797                  2.100
 CID3   Fr= 1--       6.569                 -9.948                  0.947
 RC180  Fr= 1--       0.378                  0.422                 -0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.06     0.10  -0.03  -0.07     0.01   0.13  -0.11
     2   6     0.06   0.07  -0.15    -0.01  -0.06  -0.03     0.13   0.05  -0.03
     3   6    -0.05   0.04  -0.06     0.02   0.14  -0.08     0.09   0.08   0.11
     4   6    -0.06  -0.03   0.06     0.08   0.05   0.26    -0.03  -0.02  -0.02
     5   6    -0.10  -0.05   0.03     0.05   0.05   0.00    -0.05   0.01   0.01
     6   6     0.07  -0.03  -0.02    -0.16   0.04  -0.01    -0.02  -0.05  -0.02
     7   6     0.10  -0.08  -0.05    -0.14  -0.12  -0.07     0.04  -0.11  -0.08
     8   6    -0.00   0.19   0.10     0.05  -0.04   0.03    -0.09  -0.11  -0.02
     9   1     0.18  -0.21   0.17     0.16  -0.12  -0.03    -0.04   0.03  -0.10
    10   1     0.04   0.06  -0.18     0.02   0.03   0.08     0.34   0.10   0.18
    11   1    -0.04   0.05  -0.23    -0.11   0.17  -0.27     0.31   0.03   0.37
    12   1    -0.08  -0.05   0.03     0.01   0.08  -0.14    -0.13   0.01  -0.01
    13   1    -0.10  -0.07   0.01     0.25   0.19  -0.16    -0.01   0.08   0.01
    14   1    -0.13  -0.07   0.03    -0.22  -0.04  -0.05    -0.04   0.03   0.00
    15   1     0.12   0.13  -0.05    -0.14   0.18  -0.05     0.14  -0.13   0.18
    16   1     0.13  -0.09  -0.07    -0.20  -0.21  -0.12    -0.21   0.07   0.10
    17   1     0.17  -0.32  -0.11    -0.23  -0.31  -0.09     0.01  -0.26  -0.11
    18   1     0.06  -0.05   0.20    -0.01  -0.11   0.13    -0.00  -0.09   0.10
    19   6     0.01  -0.05   0.04    -0.02  -0.01   0.06     0.01  -0.01   0.05
    20   6    -0.07   0.02   0.01     0.06  -0.01  -0.04    -0.11   0.02   0.02
    21   1     0.01  -0.22   0.03    -0.04   0.07  -0.01     0.05   0.03   0.21
    22   1    -0.02  -0.26   0.26    -0.03   0.00   0.06     0.10   0.11  -0.13
    23   1     0.05  -0.07  -0.29    -0.09  -0.03   0.14     0.06   0.03   0.15
    24   1    -0.13  -0.04  -0.01    -0.03   0.00  -0.04    -0.15   0.09   0.04
    25   1    -0.21  -0.03   0.01     0.09  -0.00  -0.09     0.03   0.07  -0.03
    26   1     0.09  -0.05  -0.09     0.11  -0.00  -0.09    -0.21   0.09   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    705.0335               737.0633               764.2289
 Red. masses --      3.2620                 3.0226                 2.2186
 Frc consts  --      0.9553                 0.9675                 0.7635
 IR Inten    --      0.6233                 1.6513                 2.6890
 RamAct Fr= 1--      7.8134                 8.9463                 7.0452
  Dep-P Fr= 1--      0.2934                 0.0195                 0.2521
  Dep-U Fr= 1--      0.4536                 0.0383                 0.4026
 Alpha2 Fr= 1--      0.0817                 0.1899                 0.0830
 Beta2  Fr= 1--      0.5907                 0.0571                 0.4728
 AlphaG Fr= 1--     -0.1417                -0.3124                 0.2744
 Gamma2 Fr= 1--      0.2271                -1.1740                -3.5403
 Delta2 Fr= 1--      0.3096                -0.2988                -0.8938
 Raman1 Fr= 1--      31.254                 35.785                 28.181
 ROA1   Fr= 1--      31.703               -122.263               -368.467
 CID1   Fr= 1--       1.014                 -3.417                -13.075
 Raman2 Fr= 1--       7.089                  0.685                  5.673
 ROA2   Fr= 1--       2.973                -25.786                -77.816
 CID2   Fr= 1--       0.419                -37.627                -13.716
 Raman3 Fr= 1--      14.178                  1.371                 11.347
 ROA3   Fr= 1--      31.703               -122.263               -368.467
 CID3   Fr= 1--       2.236                -89.205                -32.473
 RC180  Fr= 1--      -0.093                 -0.923                 -0.195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.17  -0.04    -0.16   0.06   0.19     0.04  -0.05   0.06
     2   6    -0.13   0.02  -0.14     0.11   0.05   0.09     0.06   0.10  -0.01
     3   6    -0.03  -0.05  -0.00    -0.12  -0.03   0.01     0.00  -0.13  -0.05
     4   6     0.02  -0.03  -0.01     0.01   0.03   0.03     0.05  -0.07   0.03
     5   6     0.05   0.01  -0.01     0.16   0.07  -0.04    -0.05  -0.04   0.02
     6   6     0.04  -0.01  -0.01     0.03  -0.10  -0.06    -0.05   0.12  -0.05
     7   6     0.02   0.04  -0.02    -0.00  -0.09  -0.12     0.01   0.17   0.00
     8   6     0.03  -0.04   0.03     0.00  -0.00  -0.01    -0.02  -0.07  -0.03
     9   1    -0.27   0.29  -0.10    -0.25   0.13   0.14     0.09  -0.06   0.08
    10   1    -0.23  -0.05  -0.29     0.03  -0.06  -0.06     0.11  -0.01  -0.08
    11   1     0.11  -0.07   0.07    -0.25   0.03  -0.37     0.01  -0.13  -0.13
    12   1     0.04   0.02  -0.03     0.28   0.07  -0.04    -0.15  -0.04   0.01
    13   1     0.07   0.03  -0.03     0.12   0.01  -0.02     0.02   0.03  -0.02
    14   1     0.03   0.01  -0.02     0.17   0.03  -0.03    -0.11  -0.03   0.00
    15   1     0.04  -0.08   0.02     0.23  -0.14   0.16     0.05  -0.06   0.14
    16   1    -0.02   0.02   0.02    -0.30  -0.12   0.03    -0.35   0.12   0.04
    17   1     0.09  -0.18  -0.08    -0.17  -0.22  -0.12    -0.16  -0.38  -0.08
    18   1     0.02   0.06   0.18    -0.08  -0.07   0.08     0.16   0.22   0.56
    19   6    -0.02  -0.08   0.24     0.01   0.03  -0.08    -0.01  -0.01  -0.02
    20   6     0.16  -0.02  -0.05    -0.02   0.00   0.01    -0.00  -0.02  -0.01
    21   1    -0.02  -0.07   0.24    -0.01   0.01  -0.14     0.00   0.01   0.00
    22   1    -0.03  -0.10   0.26    -0.02   0.01  -0.04     0.01   0.05  -0.09
    23   1    -0.05  -0.09   0.28    -0.01   0.02  -0.11    -0.00   0.00   0.06
    24   1     0.09   0.03  -0.04     0.04   0.04   0.03    -0.00   0.05   0.01
    25   1     0.27   0.02  -0.12     0.05   0.02   0.03     0.13   0.03  -0.03
    26   1     0.17   0.02  -0.08    -0.11   0.03   0.08    -0.11   0.06   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    788.5656               844.2706               882.3203
 Red. masses --      2.1845                 2.1540                 1.6054
 Frc consts  --      0.8003                 0.9046                 0.7364
 IR Inten    --      3.0379                 7.8695                 7.1651
 RamAct Fr= 1--      4.5674                 4.6786                 8.0610
  Dep-P Fr= 1--      0.6712                 0.1303                 0.2794
  Dep-U Fr= 1--      0.8033                 0.2305                 0.4367
 Alpha2 Fr= 1--      0.0064                 0.0760                 0.0879
 Beta2  Fr= 1--      0.6115                 0.1797                 0.5868
 AlphaG Fr= 1--     -0.0882                -0.2844                 0.2993
 Gamma2 Fr= 1--      2.9164                 0.8930                -1.9095
 Delta2 Fr= 1--      0.3456                -0.4305                -0.8908
 Raman1 Fr= 1--      18.270                 18.715                 32.244
 ROA1   Fr= 1--     291.031                 71.949               -211.817
 CID1   Fr= 1--      15.930                  3.845                 -6.569
 Raman2 Fr= 1--       7.338                  2.157                  7.041
 ROA2   Fr= 1--      67.228                 24.876                -38.701
 CID2   Fr= 1--       9.162                 11.534                 -5.496
 Raman3 Fr= 1--      14.675                  4.314                 14.082
 ROA3   Fr= 1--     291.031                 71.949               -211.817
 CID3   Fr= 1--      19.831                 16.680                -15.042
 RC180  Fr= 1--       0.607                 -0.539                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.13    -0.03  -0.09  -0.10     0.02   0.02   0.12
     2   6     0.00  -0.11   0.14     0.13   0.11  -0.03    -0.03   0.01  -0.02
     3   6    -0.04  -0.10  -0.05    -0.14  -0.06  -0.03    -0.03   0.06  -0.15
     4   6     0.02  -0.01   0.04    -0.03   0.04   0.00     0.00   0.00   0.03
     5   6    -0.02  -0.02   0.03     0.07   0.04  -0.01     0.01  -0.01   0.03
     6   6     0.02   0.08  -0.06    -0.02  -0.07   0.02     0.01  -0.03  -0.01
     7   6     0.05  -0.03  -0.05    -0.05   0.03   0.06     0.01  -0.02   0.01
     8   6     0.03   0.13   0.05    -0.03   0.04  -0.01     0.01  -0.05   0.01
     9   1    -0.04   0.27  -0.19     0.11  -0.39   0.02     0.16   0.10   0.15
    10   1     0.02  -0.07   0.19     0.32   0.21   0.20    -0.20  -0.05  -0.20
    11   1     0.03  -0.15   0.37    -0.15  -0.11   0.52     0.28  -0.05   0.74
    12   1    -0.01   0.00  -0.10     0.20   0.06  -0.11    -0.04   0.02  -0.11
    13   1     0.09   0.03  -0.09     0.08  -0.01  -0.06     0.16   0.08  -0.11
    14   1    -0.21  -0.11  -0.01    -0.03  -0.06  -0.02    -0.20  -0.05  -0.02
    15   1     0.23  -0.06   0.22    -0.12  -0.09  -0.06     0.01  -0.07   0.01
    16   1    -0.29   0.21   0.10     0.08  -0.06  -0.00     0.01   0.04   0.02
    17   1    -0.16  -0.05  -0.03     0.02   0.05   0.05     0.04   0.05   0.01
    18   1     0.25  -0.05  -0.03    -0.27   0.05   0.06    -0.02  -0.02  -0.06
    19   6     0.01   0.03  -0.00    -0.01  -0.00   0.06     0.02   0.01  -0.04
    20   6     0.01   0.03   0.01     0.07   0.00  -0.03    -0.02  -0.03   0.00
    21   1    -0.00  -0.00  -0.04    -0.00  -0.06   0.10    -0.00   0.02  -0.12
    22   1    -0.01  -0.06   0.10     0.01  -0.06   0.09    -0.02   0.00  -0.01
    23   1    -0.00   0.01  -0.11     0.02  -0.00  -0.04    -0.01  -0.00  -0.02
    24   1    -0.02  -0.09  -0.03     0.11  -0.00  -0.03    -0.05   0.06   0.03
    25   1    -0.25  -0.05   0.05     0.05  -0.00  -0.01     0.13   0.03  -0.03
    26   1     0.22  -0.09  -0.10     0.06  -0.01  -0.01    -0.14   0.06   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --    919.3963               972.4625               973.0075
 Red. masses --      2.4308                 1.6328                 1.2734
 Frc consts  --      1.2106                 0.9098                 0.7103
 IR Inten    --      0.6923                 4.1666                 0.2996
 RamAct Fr= 1--      7.2871                 3.7200                 2.0429
  Dep-P Fr= 1--      0.4565                 0.5776                 0.2005
  Dep-U Fr= 1--      0.6269                 0.7322                 0.3340
 Alpha2 Fr= 1--      0.0435                 0.0120                 0.0277
 Beta2  Fr= 1--      0.7613                 0.4540                 0.1137
 AlphaG Fr= 1--     -0.0547                -0.0036                 0.0210
 Gamma2 Fr= 1--      0.8808                 1.8547                -1.0938
 Delta2 Fr= 1--      1.1099                 0.1131                -0.4149
 Raman1 Fr= 1--      29.148                 14.880                  8.171
 ROA1   Fr= 1--     120.075                181.672               -118.283
 CID1   Fr= 1--       4.119                 12.209                -14.475
 Raman2 Fr= 1--       9.136                  5.448                  1.365
 ROA2   Fr= 1--      12.260                 43.609                -22.933
 CID2   Fr= 1--       1.342                  8.005                -16.805
 Raman3 Fr= 1--      18.272                 10.896                  2.729
 ROA3   Fr= 1--     120.075                181.672               -118.283
 CID3   Fr= 1--       6.572                 16.674                -43.337
 RC180  Fr= 1--       0.254                  0.464                 -0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.06  -0.00     0.05  -0.05  -0.05    -0.05   0.03  -0.00
     2   6    -0.11   0.06   0.04     0.04  -0.01  -0.01    -0.02  -0.01  -0.01
     3   6     0.01   0.04   0.01    -0.02   0.03   0.00     0.01   0.00   0.00
     4   6     0.02   0.07   0.02    -0.01   0.03   0.00     0.01  -0.02  -0.00
     5   6    -0.09   0.03   0.04    -0.01   0.03  -0.01     0.00  -0.02   0.01
     6   6     0.23  -0.07  -0.07    -0.02  -0.09   0.01     0.03   0.03  -0.03
     7   6    -0.09   0.01  -0.03     0.02   0.08   0.01    -0.02  -0.01   0.02
     8   6    -0.04  -0.02  -0.04     0.09   0.00  -0.02     0.02   0.00  -0.03
     9   1     0.07   0.03  -0.04    -0.21   0.36  -0.25     0.10  -0.33   0.14
    10   1    -0.15   0.12   0.07    -0.10  -0.17  -0.27     0.07   0.10   0.16
    11   1    -0.12   0.06  -0.04    -0.13   0.03   0.12     0.08   0.01  -0.09
    12   1     0.27   0.04  -0.08     0.16   0.03  -0.01    -0.07  -0.01  -0.00
    13   1    -0.20  -0.22   0.00    -0.11  -0.10   0.03     0.06   0.05  -0.02
    14   1    -0.19  -0.23   0.05     0.03  -0.05   0.02    -0.04   0.01  -0.01
    15   1     0.44  -0.20   0.21    -0.12  -0.12  -0.07     0.08  -0.03   0.06
    16   1    -0.12   0.09   0.12    -0.06  -0.22  -0.05    -0.02   0.12   0.04
    17   1    -0.24  -0.07  -0.03     0.01  -0.13  -0.03    -0.05   0.06   0.03
    18   1    -0.25   0.03   0.07    -0.03   0.11   0.23     0.01  -0.03  -0.07
    19   6    -0.03  -0.04   0.02     0.07  -0.03   0.03     0.08  -0.01   0.04
    20   6     0.04   0.00  -0.03    -0.10   0.04   0.03    -0.05   0.01  -0.07
    21   1     0.01   0.00   0.16    -0.04   0.15  -0.31    -0.05   0.12  -0.37
    22   1     0.03   0.09  -0.14    -0.13   0.01   0.14    -0.18  -0.06   0.28
    23   1     0.03   0.00   0.13    -0.15  -0.09   0.27    -0.19  -0.10   0.20
    24   1     0.12  -0.04  -0.03    -0.06  -0.05   0.01     0.42  -0.02  -0.04
    25   1    -0.01  -0.02   0.03    -0.26  -0.02   0.09    -0.10   0.01   0.22
    26   1     0.03  -0.02   0.00    -0.04  -0.04   0.03    -0.28  -0.04   0.24
                     25                     26                     27
                      A                      A                      A
 Frequencies --    978.3766               990.1921              1008.2133
 Red. masses --      2.1150                 2.0713                 1.4900
 Frc consts  --      1.1928                 1.1965                 0.8924
 IR Inten    --      0.1249                 2.9968                 4.8211
 RamAct Fr= 1--     20.1438                 3.5820                 5.9261
  Dep-P Fr= 1--      0.6630                 0.7305                 0.1958
  Dep-U Fr= 1--      0.7973                 0.8443                 0.3275
 Alpha2 Fr= 1--      0.0312                 0.0012                 0.0814
 Beta2  Fr= 1--      2.6769                 0.5040                 0.3235
 AlphaG Fr= 1--     -0.0747                -0.0276                 0.1181
 Gamma2 Fr= 1--     -1.1345                -2.9456                -1.1545
 Delta2 Fr= 1--     -0.0102                -1.8023                -0.2068
 Raman1 Fr= 1--      80.575                 14.328                 23.704
 ROA1   Fr= 1--    -109.240               -340.453               -117.452
 CID1   Fr= 1--      -1.356                -23.761                 -4.955
 Raman2 Fr= 1--      32.122                  6.048                  3.882
 ROA2   Fr= 1--     -27.147                -56.276                -26.055
 CID2   Fr= 1--      -0.845                 -9.304                 -6.711
 Raman3 Fr= 1--      64.245                 12.097                  7.764
 ROA3   Fr= 1--    -109.240               -340.453               -117.452
 CID3   Fr= 1--      -1.700                -28.144                -15.127
 RC180  Fr= 1--       0.595                  0.689                 -0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.04   0.04    -0.02  -0.09  -0.01    -0.01   0.02  -0.06
     2   6     0.07   0.12   0.03     0.06  -0.04   0.06     0.06   0.00  -0.03
     3   6    -0.01  -0.11  -0.01     0.04   0.14   0.01     0.02  -0.05   0.04
     4   6     0.01   0.01   0.00    -0.00  -0.01   0.00     0.02   0.02  -0.01
     5   6    -0.00  -0.01   0.00     0.02  -0.04   0.01    -0.03   0.04   0.05
     6   6    -0.04   0.09   0.05    -0.04  -0.07  -0.09    -0.01   0.01  -0.05
     7   6    -0.01  -0.13  -0.05     0.08   0.05   0.07    -0.03  -0.02   0.07
     8   6    -0.02   0.01  -0.09    -0.06   0.05  -0.06     0.05  -0.01   0.01
     9   1    -0.06   0.51  -0.16    -0.12  -0.05  -0.05     0.06  -0.01  -0.03
    10   1    -0.27   0.12  -0.22    -0.24  -0.16  -0.28    -0.22   0.05  -0.21
    11   1    -0.12  -0.10   0.03    -0.03   0.16  -0.07    -0.06  -0.02  -0.23
    12   1    -0.03  -0.01   0.00    -0.22  -0.04   0.02     0.19   0.05  -0.11
    13   1     0.01   0.01  -0.00     0.15   0.15  -0.03    -0.01  -0.09  -0.07
    14   1    -0.01  -0.00  -0.00    -0.03   0.09  -0.02    -0.23  -0.18   0.03
    15   1    -0.00   0.30  -0.02     0.00  -0.26   0.04    -0.00  -0.16   0.04
    16   1     0.16   0.10  -0.01    -0.25  -0.01   0.00    -0.06   0.19   0.05
    17   1     0.06   0.14  -0.00    -0.07   0.09   0.10    -0.06   0.20   0.11
    18   1    -0.08  -0.14  -0.26     0.14   0.04   0.00    -0.09  -0.04  -0.16
    19   6    -0.03  -0.03   0.09    -0.07   0.02   0.07     0.03   0.05   0.01
    20   6    -0.03   0.01  -0.06     0.02   0.00  -0.07    -0.04  -0.08   0.04
    21   1    -0.01  -0.06   0.18     0.01  -0.19   0.33    -0.01  -0.08  -0.12
    22   1     0.01  -0.01   0.02     0.09  -0.11   0.07    -0.02  -0.15   0.24
    23   1     0.02  -0.01   0.07     0.10   0.05  -0.26    -0.02   0.00  -0.23
    24   1     0.27  -0.02  -0.04     0.31   0.01  -0.04    -0.30   0.17   0.10
    25   1    -0.08   0.00   0.13     0.01   0.01   0.09     0.34   0.05  -0.16
    26   1    -0.21  -0.01   0.15    -0.15  -0.00   0.13    -0.20   0.15  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.7123              1043.8992              1076.7060
 Red. masses --      1.4043                 1.5494                 1.4637
 Frc consts  --      0.8910                 0.9948                 0.9998
 IR Inten    --      2.3209                 3.7899                 0.0668
 RamAct Fr= 1--      2.0080                 3.7403                 2.2120
  Dep-P Fr= 1--      0.7487                 0.5010                 0.1419
  Dep-U Fr= 1--      0.8563                 0.6675                 0.2486
 Alpha2 Fr= 1--      0.0000                 0.0184                 0.0349
 Beta2  Fr= 1--      0.2866                 0.4161                 0.0916
 AlphaG Fr= 1--      0.0076                 0.0685                -0.0959
 Gamma2 Fr= 1--     -0.4227                -0.3624                 1.1118
 Delta2 Fr= 1--      1.0365                -0.1278                 0.3948
 Raman1 Fr= 1--       8.032                 14.961                  8.848
 ROA1   Fr= 1--      -7.413                -38.882                119.364
 CID1   Fr= 1--      -0.923                 -2.599                 13.490
 Raman2 Fr= 1--       3.439                  4.994                  1.100
 ROA2   Fr= 1--     -18.437                 -7.676                 23.524
 CID2   Fr= 1--      -5.361                 -1.537                 21.391
 Raman3 Fr= 1--       6.878                  9.987                  2.199
 ROA3   Fr= 1--      -7.413                -38.882                119.364
 CID3   Fr= 1--      -1.078                 -3.893                 54.270
 RC180  Fr= 1--       0.713                  0.335                 -0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.00     0.01   0.05   0.05    -0.02   0.02  -0.03
     2   6     0.02   0.05  -0.04    -0.01  -0.00  -0.03     0.03   0.03  -0.00
     3   6    -0.04   0.02   0.03     0.02  -0.04  -0.00    -0.02  -0.01  -0.02
     4   6    -0.03  -0.01  -0.03     0.00   0.01  -0.02     0.02  -0.02   0.10
     5   6     0.06  -0.07   0.05    -0.02   0.09   0.06    -0.02   0.01  -0.10
     6   6     0.02   0.01  -0.06    -0.10  -0.03  -0.04    -0.01   0.02  -0.06
     7   6    -0.01  -0.02   0.04     0.09  -0.02   0.04     0.03  -0.03   0.06
     8   6     0.03  -0.01  -0.00    -0.02   0.00  -0.00     0.02   0.01  -0.02
     9   1    -0.12  -0.04  -0.04     0.12  -0.05   0.12     0.16  -0.28   0.11
    10   1    -0.05   0.05  -0.09     0.07   0.00   0.05    -0.32   0.11  -0.21
    11   1    -0.17   0.05  -0.14     0.10  -0.03  -0.17     0.03  -0.03   0.12
    12   1    -0.31  -0.04  -0.07     0.40   0.12  -0.19     0.03  -0.04   0.21
    13   1     0.39   0.27  -0.14    -0.03  -0.16  -0.11    -0.31  -0.10   0.21
    14   1    -0.21   0.08  -0.05    -0.30  -0.28   0.05     0.42   0.11   0.00
    15   1     0.09  -0.08   0.07    -0.22  -0.22  -0.06     0.10  -0.03   0.08
    16   1     0.03   0.27   0.07    -0.09   0.01  -0.02    -0.21   0.01  -0.00
    17   1     0.03   0.12   0.06     0.17   0.09   0.05    -0.11   0.18   0.12
    18   1    -0.18  -0.02  -0.08     0.23  -0.05  -0.11     0.09  -0.06  -0.15
    19   6     0.01  -0.06  -0.02    -0.03  -0.05  -0.02    -0.00  -0.06  -0.00
    20   6    -0.00   0.04   0.06     0.01   0.05  -0.02    -0.01   0.01   0.03
    21   1     0.00   0.13  -0.03     0.01   0.05   0.13     0.00   0.09   0.04
    22   1    -0.02   0.14  -0.18     0.04   0.13  -0.23    -0.00   0.11  -0.16
    23   1    -0.02  -0.03   0.29     0.04   0.01   0.19     0.01  -0.02   0.23
    24   1    -0.21  -0.07   0.00     0.16  -0.10  -0.06    -0.12  -0.01   0.01
    25   1    -0.19  -0.03  -0.04    -0.21  -0.03   0.09    -0.07  -0.01  -0.03
    26   1     0.24  -0.05  -0.13     0.12  -0.09   0.00     0.10  -0.01  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1089.2258              1116.7563              1158.8464
 Red. masses --      1.8128                 1.6061                 1.7977
 Frc consts  --      1.2672                 1.1801                 1.4224
 IR Inten    --      2.5339                 0.7901                 3.8988
 RamAct Fr= 1--      5.0046                 3.0489                 5.0397
  Dep-P Fr= 1--      0.3851                 0.6304                 0.7348
  Dep-U Fr= 1--      0.5561                 0.7733                 0.8471
 Alpha2 Fr= 1--      0.0391                 0.0066                 0.0013
 Beta2  Fr= 1--      0.4638                 0.3930                 0.7115
 AlphaG Fr= 1--     -0.0466                -0.0239                -0.0118
 Gamma2 Fr= 1--      0.6609                -3.5385                 2.3877
 Delta2 Fr= 1--      0.8043                -0.8801                -0.1546
 Raman1 Fr= 1--      20.018                 12.196                 20.159
 ROA1   Fr= 1--      89.181               -367.855                224.267
 CID1   Fr= 1--       4.455                -30.163                 11.125
 Raman2 Fr= 1--       5.566                  4.716                  8.538
 ROA2   Fr= 1--       9.426                -77.883                 58.541
 CID2   Fr= 1--       1.694                -16.516                  6.856
 Raman3 Fr= 1--      11.132                  9.431                 17.077
 ROA3   Fr= 1--      89.181               -367.855                224.267
 CID3   Fr= 1--       8.011                -39.005                 13.133
 RC180  Fr= 1--       0.112                  0.547                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.02   0.02     0.02   0.03  -0.08    -0.02  -0.02   0.01
     2   6    -0.13   0.06  -0.05    -0.04   0.02   0.10     0.02  -0.06  -0.04
     3   6    -0.07  -0.00   0.02    -0.02  -0.01   0.06     0.00   0.00  -0.01
     4   6    -0.02   0.00   0.05    -0.07   0.00  -0.06     0.03   0.01   0.02
     5   6     0.02  -0.02  -0.03     0.04  -0.01   0.03    -0.01  -0.01  -0.01
     6   6    -0.04  -0.04  -0.08    -0.01  -0.04   0.05    -0.00   0.00  -0.02
     7   6     0.12  -0.01   0.03     0.06   0.02  -0.06    -0.03   0.00   0.02
     8   6    -0.01  -0.01  -0.00    -0.00   0.05   0.02     0.05   0.18   0.08
     9   1    -0.03   0.34  -0.11     0.48  -0.15   0.13    -0.15   0.17  -0.08
    10   1     0.24   0.32   0.48    -0.41   0.12  -0.10     0.27  -0.14   0.07
    11   1    -0.29   0.02   0.03    -0.24   0.01   0.01    -0.01   0.00   0.01
    12   1    -0.08  -0.03   0.07    -0.03   0.01  -0.08    -0.03  -0.02   0.04
    13   1     0.01   0.06   0.05     0.17   0.08  -0.08    -0.05  -0.01   0.03
    14   1     0.15   0.10  -0.02    -0.10   0.03  -0.02     0.04   0.00   0.00
    15   1     0.02  -0.17   0.04     0.02   0.15  -0.03    -0.04  -0.11  -0.00
    16   1    -0.22  -0.03  -0.02    -0.04  -0.27  -0.06     0.07   0.17   0.04
    17   1     0.12   0.09   0.05    -0.01  -0.11  -0.08     0.07  -0.00   0.00
    18   1     0.24  -0.04  -0.12     0.25   0.02   0.07    -0.14   0.01   0.02
    19   6     0.02   0.03   0.01     0.01  -0.04  -0.02    -0.03  -0.09  -0.04
    20   6    -0.00  -0.04   0.01    -0.00  -0.06  -0.01    -0.03  -0.09  -0.05
    21   1    -0.01  -0.03  -0.10     0.00   0.10  -0.01     0.02   0.18   0.15
    22   1    -0.03  -0.07   0.14    -0.02   0.11  -0.13     0.01   0.22  -0.34
    23   1    -0.04  -0.01  -0.07    -0.00  -0.02   0.20     0.09   0.01   0.31
    24   1    -0.07   0.05   0.03    -0.01   0.11   0.04     0.11   0.20   0.06
    25   1     0.17   0.02  -0.06     0.23   0.03  -0.03     0.36   0.05   0.02
    26   1    -0.08   0.06   0.00    -0.16   0.09   0.03    -0.37   0.14   0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1172.0732              1184.0870              1211.8555
 Red. masses --      1.5207                 2.6336                 1.6678
 Frc consts  --      1.2309                 2.1756                 1.4431
 IR Inten    --      1.8467                 1.8526                 0.9489
 RamAct Fr= 1--      3.4566                 3.5159                 3.0521
  Dep-P Fr= 1--      0.3516                 0.7500                 0.4817
  Dep-U Fr= 1--      0.5203                 0.8571                 0.6502
 Alpha2 Fr= 1--      0.0302                 0.0000                 0.0164
 Beta2  Fr= 1--      0.2997                 0.5023                 0.3307
 AlphaG Fr= 1--      0.0898                 0.0000                 0.0797
 Gamma2 Fr= 1--     -0.1087                -0.4744                 0.6696
 Delta2 Fr= 1--      0.3997                 0.5758                -0.3004
 Raman1 Fr= 1--      13.826                 14.064                 12.208
 ROA1   Fr= 1--       2.355                -27.121                 54.672
 CID1   Fr= 1--       0.170                 -1.928                  4.478
 Raman2 Fr= 1--       3.597                  6.027                  3.969
 ROA2   Fr= 1--      -5.807                -15.993                 18.474
 CID2   Fr= 1--      -1.615                 -2.653                  4.655
 Raman3 Fr= 1--       7.194                 12.055                  7.938
 ROA3   Fr= 1--       2.355                -27.121                 54.672
 CID3   Fr= 1--       0.327                 -2.250                  6.888
 RC180  Fr= 1--       0.041                  0.714                  0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.02    -0.11  -0.06   0.02     0.00  -0.05  -0.04
     2   6     0.02  -0.06  -0.03    -0.00   0.10   0.08    -0.03   0.05   0.09
     3   6    -0.04  -0.04   0.04     0.07   0.01  -0.04     0.02   0.03   0.01
     4   6     0.06   0.08   0.02     0.21   0.15  -0.04    -0.05  -0.07   0.06
     5   6    -0.02  -0.05  -0.02    -0.10  -0.06   0.02     0.01   0.04  -0.03
     6   6     0.01  -0.02  -0.02    -0.03  -0.02   0.03    -0.06  -0.01  -0.06
     7   6    -0.03   0.01   0.01     0.04  -0.05  -0.07     0.05  -0.00  -0.03
     8   6    -0.00  -0.06   0.05    -0.08   0.03  -0.01    -0.12  -0.00   0.04
     9   1     0.53   0.21   0.14    -0.24  -0.17   0.00     0.15   0.07  -0.02
    10   1     0.08  -0.24  -0.15    -0.09   0.14   0.05    -0.03  -0.23  -0.16
    11   1    -0.46   0.00   0.07    -0.26   0.04   0.09     0.13   0.02  -0.10
    12   1    -0.20  -0.06   0.09    -0.30  -0.08   0.09     0.17   0.03   0.02
    13   1    -0.03   0.04   0.06    -0.13  -0.06   0.05    -0.04  -0.01   0.02
    14   1     0.05   0.06  -0.02    -0.13  -0.05   0.01     0.11  -0.01   0.01
    15   1    -0.12  -0.24  -0.04    -0.35  -0.34  -0.14     0.06   0.04   0.04
    16   1     0.07   0.14   0.04     0.09  -0.06  -0.03     0.21   0.46   0.09
    17   1     0.11  -0.03  -0.02     0.23  -0.08  -0.10     0.51  -0.09  -0.11
    18   1    -0.18   0.02   0.03     0.14  -0.06  -0.06    -0.35   0.04   0.09
    19   6    -0.02   0.03  -0.02     0.05  -0.02   0.00     0.05   0.01  -0.01
    20   6    -0.01   0.04  -0.04     0.05  -0.02   0.03     0.05  -0.01  -0.01
    21   1     0.00  -0.05   0.03    -0.01   0.09  -0.18    -0.01   0.06  -0.20
    22   1     0.05  -0.02  -0.02    -0.11   0.03   0.07    -0.09   0.02   0.08
    23   1     0.03   0.03  -0.10    -0.10  -0.06   0.12    -0.10  -0.04   0.02
    24   1     0.19  -0.06  -0.05    -0.14   0.02   0.03     0.03   0.00  -0.01
    25   1    -0.11  -0.00   0.10     0.11  -0.00  -0.11     0.09   0.00  -0.05
    26   1     0.02  -0.08   0.05     0.10   0.04  -0.09     0.07   0.01  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1244.1193              1275.2351              1328.4859
 Red. masses --      1.4790                 1.5543                 2.0395
 Frc consts  --      1.3488                 1.4893                 2.1207
 IR Inten    --      6.5155                 3.5535                 0.3664
 RamAct Fr= 1--      4.0764                11.0599                 5.8528
  Dep-P Fr= 1--      0.5218                 0.3261                 0.5549
  Dep-U Fr= 1--      0.6858                 0.4918                 0.7137
 Alpha2 Fr= 1--      0.0181                 0.1048                 0.0218
 Beta2  Fr= 1--      0.4659                 0.9065                 0.6962
 AlphaG Fr= 1--     -0.0499                -0.0761                 0.0043
 Gamma2 Fr= 1--      0.4831                -5.6222                 0.6612
 Delta2 Fr= 1--      0.8878                -1.5674                 0.4372
 Raman1 Fr= 1--      16.305                 44.240                 23.411
 ROA1   Fr= 1--      74.783               -589.887                 77.467
 CID1   Fr= 1--       4.586                -13.334                  3.309
 Raman2 Fr= 1--       5.591                 10.879                  8.355
 ROA2   Fr= 1--       4.491               -122.394                 12.371
 CID2   Fr= 1--       0.803                -11.251                  1.481
 Raman3 Fr= 1--      11.182                 21.757                 16.709
 ROA3   Fr= 1--      74.783               -589.887                 77.467
 CID3   Fr= 1--       6.688                -27.112                  4.636
 RC180  Fr= 1--       0.372                 -0.016                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.00     0.02  -0.02  -0.00     0.03  -0.00  -0.05
     2   6    -0.01  -0.01   0.05     0.06   0.02  -0.04     0.02   0.04  -0.03
     3   6    -0.05   0.01  -0.00    -0.03   0.02   0.03    -0.01  -0.01  -0.00
     4   6    -0.02  -0.03   0.05    -0.05  -0.05   0.02     0.01  -0.01  -0.01
     5   6     0.01   0.00  -0.02     0.02   0.00  -0.01     0.00   0.00   0.00
     6   6     0.02  -0.01  -0.00     0.07   0.02   0.04     0.01   0.02  -0.00
     7   6    -0.04   0.03  -0.07    -0.09  -0.01  -0.01     0.01  -0.01   0.00
     8   6     0.13  -0.02  -0.04    -0.13   0.02   0.03    -0.02  -0.09   0.26
     9   1    -0.16  -0.24  -0.01     0.09   0.24  -0.04    -0.47  -0.13  -0.21
    10   1    -0.21   0.23   0.13     0.03  -0.07  -0.14    -0.37   0.32  -0.07
    11   1     0.02   0.00  -0.01     0.11   0.02  -0.05    -0.03  -0.01   0.02
    12   1     0.04  -0.00   0.03     0.05   0.01   0.00    -0.01   0.00  -0.01
    13   1     0.00   0.02   0.01     0.03   0.03  -0.01    -0.01  -0.02  -0.00
    14   1     0.07   0.01  -0.00     0.06   0.02  -0.00    -0.01  -0.01  -0.00
    15   1    -0.26  -0.38  -0.09    -0.26  -0.38  -0.09    -0.02  -0.02  -0.01
    16   1     0.31   0.40   0.11     0.16   0.11   0.05    -0.12  -0.11  -0.03
    17   1     0.27  -0.15  -0.15    -0.33   0.05   0.04     0.10   0.06   0.01
    18   1     0.23   0.02   0.05     0.61  -0.08  -0.10    -0.06   0.00   0.03
    19   6    -0.05   0.01   0.02     0.04  -0.01  -0.01    -0.00   0.02  -0.05
    20   6    -0.04   0.00   0.01     0.04  -0.00  -0.00    -0.01   0.03  -0.08
    21   1     0.00  -0.09   0.17    -0.01   0.08  -0.16    -0.04   0.06  -0.20
    22   1     0.09  -0.05  -0.02    -0.09   0.07   0.02     0.10   0.10  -0.21
    23   1     0.08   0.05  -0.06    -0.08  -0.05   0.02     0.08   0.03  -0.23
    24   1    -0.07   0.01   0.01     0.05  -0.01  -0.01     0.26  -0.03  -0.06
    25   1    -0.08  -0.01   0.05     0.07   0.00  -0.05     0.05   0.05   0.20
    26   1    -0.09   0.01   0.06     0.08  -0.00  -0.05     0.00  -0.17   0.12
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1336.5626              1347.6587              1382.5335
 Red. masses --      1.2482                 1.3658                 1.7038
 Frc consts  --      1.3137                 1.4615                 1.9188
 IR Inten    --      2.3356                 1.8784                 0.5617
 RamAct Fr= 1--      6.2853                 4.8915                 3.1847
  Dep-P Fr= 1--      0.5513                 0.2136                 0.7478
  Dep-U Fr= 1--      0.7107                 0.3521                 0.8557
 Alpha2 Fr= 1--      0.0239                 0.0641                 0.0001
 Beta2  Fr= 1--      0.7445                 0.2870                 0.4542
 AlphaG Fr= 1--     -0.0256                 0.0420                -0.0016
 Gamma2 Fr= 1--     -0.9687                -0.0074                 1.2984
 Delta2 Fr= 1--     -0.1171                 0.2631                 1.0604
 Raman1 Fr= 1--      25.141                 19.566                 12.739
 ROA1   Fr= 1--     -96.742                  7.705                158.573
 CID1   Fr= 1--      -3.848                  0.394                 12.448
 Raman2 Fr= 1--       8.934                  3.444                  5.450
 ROA2   Fr= 1--     -22.312                 -2.284                 22.678
 CID2   Fr= 1--      -2.497                 -0.663                  4.161
 Raman3 Fr= 1--      17.868                  6.889                 10.901
 ROA3   Fr= 1--     -96.742                  7.705                158.573
 CID3   Fr= 1--      -5.414                  1.118                 14.547
 RC180  Fr= 1--       0.421                 -0.296                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.00     0.05   0.03  -0.01    -0.12  -0.07   0.03
     2   6     0.02  -0.04  -0.01    -0.00   0.02   0.04     0.07  -0.05  -0.05
     3   6    -0.05  -0.02   0.03    -0.03  -0.01   0.00     0.08   0.07  -0.00
     4   6    -0.02   0.08   0.02    -0.02  -0.01  -0.01     0.01  -0.11  -0.02
     5   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.02   0.03   0.01
     6   6     0.03   0.04   0.01     0.07   0.08  -0.02     0.02   0.04  -0.01
     7   6     0.04  -0.00  -0.02    -0.10  -0.03   0.04    -0.07   0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01  -0.00
     9   1     0.25   0.22   0.02    -0.11  -0.13  -0.03     0.30   0.37   0.08
    10   1    -0.18   0.26   0.12     0.13  -0.28  -0.13    -0.20   0.48   0.23
    11   1     0.61  -0.06  -0.22     0.02  -0.01   0.01    -0.36   0.10   0.11
    12   1    -0.07  -0.02   0.01    -0.03   0.00  -0.03     0.11   0.03  -0.02
    13   1     0.02   0.07   0.05     0.01  -0.01  -0.00     0.03  -0.05  -0.11
    14   1    -0.01   0.09  -0.03    -0.02   0.03  -0.01     0.09  -0.08   0.05
    15   1    -0.21  -0.26  -0.08    -0.02  -0.11  -0.02     0.06   0.08   0.01
    16   1    -0.16  -0.17  -0.04    -0.39  -0.38  -0.11    -0.11  -0.03  -0.01
    17   1     0.07  -0.03  -0.03     0.68   0.01  -0.06     0.36   0.01  -0.05
    18   1    -0.34   0.03   0.06     0.14  -0.06  -0.06     0.06   0.02   0.06
    19   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.01
    20   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.00
    21   1     0.00   0.00   0.01     0.01  -0.03   0.02     0.01   0.01   0.03
    22   1    -0.00   0.00  -0.00    -0.00  -0.03   0.04    -0.01  -0.01   0.01
    23   1    -0.00  -0.00   0.02    -0.02  -0.00   0.05     0.01   0.01   0.03
    24   1    -0.01   0.01   0.00    -0.02   0.00   0.01    -0.03  -0.00  -0.00
    25   1    -0.02  -0.01   0.01     0.01  -0.00  -0.03    -0.08  -0.01   0.02
    26   1     0.01   0.01  -0.01    -0.02   0.03  -0.01     0.02  -0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1399.1822              1410.8195              1414.1050
 Red. masses --      1.6354                 1.3228                 1.2926
 Frc consts  --      1.8863                 1.5512                 1.5229
 IR Inten    --      0.7477                 6.3080                 1.4291
 RamAct Fr= 1--      8.0199                 0.5893                 9.5972
  Dep-P Fr= 1--      0.2801                 0.3920                 0.4187
  Dep-U Fr= 1--      0.4376                 0.5632                 0.5903
 Alpha2 Fr= 1--      0.0872                 0.0045                 0.0664
 Beta2  Fr= 1--      0.5850                 0.0553                 0.9442
 AlphaG Fr= 1--     -0.1881                -0.0098                 0.0717
 Gamma2 Fr= 1--     -1.6870                -0.0579                 1.0657
 Delta2 Fr= 1--     -0.0048                -0.0499                 0.3995
 Raman1 Fr= 1--      32.080                  2.357                 38.389
 ROA1   Fr= 1--    -162.103                 -7.150                115.092
 CID1   Fr= 1--      -5.053                 -3.033                  2.998
 Raman2 Fr= 1--       7.020                  0.664                 11.330
 ROA2   Fr= 1--     -40.449                 -0.989                 22.381
 CID2   Fr= 1--      -5.762                 -1.490                  1.975
 Raman3 Fr= 1--      14.040                  1.328                 22.660
 ROA3   Fr= 1--    -162.103                 -7.150                115.092
 CID3   Fr= 1--     -11.546                 -5.386                  5.079
 RC180  Fr= 1--      -0.125                  0.126                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.01
     2   6     0.03   0.01  -0.02    -0.00  -0.01   0.01    -0.01   0.01   0.00
     3   6    -0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     4   6     0.03   0.12   0.00     0.00   0.00  -0.00     0.02   0.04  -0.00
     5   6     0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.13  -0.06   0.03
     6   6    -0.05  -0.14  -0.03     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6    -0.10   0.04   0.03    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.02     0.02   0.02  -0.05     0.01  -0.00   0.01
     9   1     0.07   0.12  -0.01     0.04  -0.01   0.04    -0.03  -0.03  -0.01
    10   1    -0.03   0.09   0.01     0.03  -0.00   0.04     0.02  -0.04  -0.03
    11   1     0.37  -0.06  -0.12    -0.01   0.00   0.01     0.04  -0.02  -0.02
    12   1    -0.09  -0.02   0.01     0.06  -0.00  -0.02     0.49  -0.02  -0.16
    13   1    -0.05   0.04   0.12     0.05   0.04  -0.04     0.38   0.32  -0.32
    14   1    -0.11   0.08  -0.05     0.07   0.03   0.02     0.51   0.25   0.12
    15   1     0.36   0.40   0.10    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    16   1     0.11   0.15   0.06    -0.01  -0.00  -0.00    -0.02   0.00   0.01
    17   1     0.30  -0.02  -0.03     0.06   0.00  -0.01    -0.00   0.00   0.00
    18   1     0.52  -0.01  -0.03    -0.02   0.01   0.03     0.02  -0.01  -0.02
    19   6    -0.00   0.00  -0.01    -0.01  -0.03   0.10    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.00    -0.10   0.00   0.05     0.00  -0.00  -0.01
    21   1     0.00  -0.00   0.00    -0.13   0.11  -0.35     0.02  -0.02   0.06
    22   1     0.02  -0.02  -0.00     0.14   0.23  -0.28    -0.01  -0.05   0.04
    23   1     0.02   0.01   0.01     0.09  -0.03  -0.36    -0.00   0.01   0.07
    24   1     0.04  -0.01  -0.01     0.38  -0.08   0.04    -0.02   0.01  -0.00
    25   1     0.02   0.02   0.02     0.34   0.13  -0.19    -0.01  -0.00   0.03
    26   1     0.04  -0.04  -0.00     0.30  -0.10  -0.27    -0.02  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1423.7442              1438.7864              1477.7291
 Red. masses --      1.3657                 2.2210                 1.0573
 Frc consts  --      1.6311                 2.7089                 1.3603
 IR Inten    --      1.5655                 1.9144                 7.6843
 RamAct Fr= 1--     10.3284                37.8597                10.8592
  Dep-P Fr= 1--      0.1222                 0.2183                 0.5282
  Dep-U Fr= 1--      0.2178                 0.3584                 0.6913
 Alpha2 Fr= 1--      0.1712                 0.4895                 0.0467
 Beta2  Fr= 1--      0.3749                 2.2617                 1.2511
 AlphaG Fr= 1--     -0.0730                -0.3067                -0.1477
 Gamma2 Fr= 1--     -0.6051                -2.2035                -0.9344
 Delta2 Fr= 1--     -0.1032                 0.5990                 0.1733
 Raman1 Fr= 1--      41.313                151.439                 43.437
 ROA1   Fr= 1--     -61.391               -192.364                -84.157
 CID1   Fr= 1--      -1.486                 -1.270                 -1.937
 Raman2 Fr= 1--       4.498                 27.140                 15.013
 ROA2   Fr= 1--     -13.696                -57.676                -23.812
 CID2   Fr= 1--      -3.045                 -2.125                 -1.586
 Raman3 Fr= 1--       8.997                 54.280                 30.027
 ROA3   Fr= 1--     -61.391               -192.364                -84.157
 CID3   Fr= 1--      -6.824                 -3.544                 -2.803
 RC180  Fr= 1--      -0.564                 -0.283                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02    -0.13  -0.12  -0.06     0.01   0.01   0.00
     2   6    -0.01   0.05   0.01    -0.08   0.17   0.02     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.00     0.04   0.04   0.01    -0.01  -0.00   0.00
     4   6    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.00   0.01  -0.02
     5   6     0.01   0.01  -0.00     0.00   0.01  -0.01    -0.02   0.00  -0.04
     6   6     0.01   0.01   0.01     0.01   0.03   0.01    -0.03   0.02  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.05  -0.01    -0.01  -0.00  -0.00
     8   6     0.04  -0.02   0.03     0.15  -0.05   0.05    -0.01   0.00  -0.00
     9   1     0.03   0.04  -0.01     0.34   0.17   0.03    -0.02  -0.01  -0.00
    10   1     0.04  -0.04  -0.04     0.34  -0.31  -0.12    -0.02   0.02   0.01
    11   1     0.01   0.02  -0.00     0.09   0.03  -0.04     0.01  -0.00   0.01
    12   1    -0.02   0.00   0.01     0.01  -0.00   0.03     0.21  -0.10   0.57
    13   1    -0.02  -0.02   0.01    -0.02   0.01   0.02     0.14   0.41   0.08
    14   1    -0.03  -0.03  -0.00    -0.02  -0.01  -0.01    -0.13  -0.38   0.01
    15   1    -0.04  -0.05  -0.00    -0.02  -0.14   0.06     0.16  -0.16   0.25
    16   1     0.01  -0.02  -0.01     0.06  -0.09  -0.06     0.23  -0.19  -0.17
    17   1    -0.06  -0.00   0.01    -0.08   0.12   0.04     0.04   0.08   0.01
    18   1     0.01  -0.02  -0.04     0.16  -0.06  -0.02     0.01   0.01   0.09
    19   6    -0.01   0.03  -0.10    -0.06  -0.00   0.03     0.00  -0.00  -0.00
    20   6    -0.11   0.01   0.02     0.00   0.01  -0.02     0.00   0.00   0.00
    21   1     0.12  -0.12   0.35    -0.11   0.03  -0.22     0.01   0.05   0.03
    22   1    -0.06  -0.29   0.27     0.30  -0.05  -0.19    -0.04   0.00   0.03
    23   1    -0.02   0.07   0.38     0.26   0.10  -0.12     0.02   0.00  -0.01
    24   1     0.39  -0.08   0.02    -0.17   0.03  -0.02     0.00  -0.03  -0.01
    25   1     0.36   0.16  -0.07    -0.13  -0.03   0.16     0.01   0.00  -0.03
    26   1     0.30  -0.19  -0.20    -0.13  -0.04   0.17    -0.01   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1483.6237              1485.1644              1490.0952
 Red. masses --      1.0627                 1.0633                 1.0656
 Frc consts  --      1.3782                 1.3818                 1.3941
 IR Inten    --      0.5260                 0.3244                 6.1161
 RamAct Fr= 1--     12.6805                11.6097                25.6048
  Dep-P Fr= 1--      0.6168                 0.6091                 0.4793
  Dep-U Fr= 1--      0.7630                 0.7571                 0.6480
 Alpha2 Fr= 1--      0.0310                 0.0301                 0.1388
 Beta2  Fr= 1--      1.6124                 1.4649                 2.7655
 AlphaG Fr= 1--      0.0355                -0.0857                -0.0816
 Gamma2 Fr= 1--      2.7211                -3.5274                -3.5118
 Delta2 Fr= 1--      1.6549                 0.7238                -1.3532
 Raman1 Fr= 1--      50.722                 46.439                102.419
 ROA1   Fr= 1--     314.187               -315.471               -380.431
 CID1   Fr= 1--       6.194                 -6.793                 -3.714
 Raman2 Fr= 1--      19.349                 17.578                 33.186
 ROA2   Fr= 1--      52.068                -90.448                -73.457
 CID2   Fr= 1--       2.691                 -5.145                 -2.214
 Raman3 Fr= 1--      38.698                 35.157                 66.371
 ROA3   Fr= 1--     314.187               -315.471               -380.431
 CID3   Fr= 1--       8.119                 -8.973                 -5.732
 RC180  Fr= 1--       0.526                  0.514                  0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.00  -0.01
     4   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
     5   6    -0.00   0.01  -0.02     0.00  -0.01   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03   0.01    -0.04   0.03  -0.01     0.01   0.01   0.00
     7   6     0.01   0.01   0.02    -0.00   0.01   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.01  -0.00   0.01
    10   1     0.02  -0.01  -0.01    -0.02   0.03   0.01     0.00   0.01   0.01
    11   1    -0.00  -0.00   0.00    -0.01   0.00   0.01    -0.11   0.00   0.04
    12   1     0.05  -0.05   0.31    -0.01   0.03  -0.19     0.41  -0.02  -0.12
    13   1     0.08   0.17   0.00    -0.05  -0.09   0.01    -0.17   0.34   0.48
    14   1    -0.04  -0.25   0.02     0.01   0.16  -0.02    -0.39   0.43  -0.18
    15   1    -0.18   0.22  -0.30     0.18  -0.21   0.30    -0.05  -0.00  -0.04
    16   1    -0.30   0.17   0.19     0.30  -0.17  -0.19    -0.05   0.01   0.02
    17   1    -0.04  -0.22  -0.03     0.00  -0.03  -0.01    -0.01  -0.08  -0.01
    18   1    -0.02  -0.02  -0.23    -0.01   0.01  -0.03    -0.03  -0.01  -0.08
    19   6    -0.00   0.02   0.01    -0.00   0.02   0.00     0.01   0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.00  -0.00
    21   1    -0.03  -0.26  -0.13    -0.03  -0.27  -0.12     0.01  -0.04   0.03
    22   1     0.19  -0.02  -0.11     0.19  -0.05  -0.09    -0.04   0.06  -0.02
    23   1    -0.13  -0.03   0.11    -0.13  -0.03   0.14    -0.08  -0.04  -0.03
    24   1     0.05   0.29   0.10     0.11   0.42   0.15    -0.04  -0.03  -0.01
    25   1    -0.08  -0.03   0.20    -0.14  -0.06   0.26     0.05   0.02   0.03
    26   1     0.08   0.08  -0.18     0.11   0.15  -0.29     0.02  -0.06   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1491.4465              1497.5912              1508.8378
 Red. masses --      1.0598                 1.0673                 1.1151
 Frc consts  --      1.3889                 1.4103                 1.4957
 IR Inten    --      4.0990                11.5976                 3.2981
 RamAct Fr= 1--      1.0772                 1.4594                 5.4891
  Dep-P Fr= 1--      0.6664                 0.4836                 0.6900
  Dep-U Fr= 1--      0.7998                 0.6519                 0.8166
 Alpha2 Fr= 1--      0.0016                 0.0078                 0.0058
 Beta2  Fr= 1--      0.1436                 0.1586                 0.7470
 AlphaG Fr= 1--      0.0017                -0.0049                 0.0003
 Gamma2 Fr= 1--      1.1309                -0.0538                 0.1057
 Delta2 Fr= 1--      0.4210                 0.3269                -0.4351
 Raman1 Fr= 1--       4.309                  5.838                 21.956
 ROA1   Fr= 1--     122.039                  5.299                 -3.778
 CID1   Fr= 1--      28.323                  0.908                 -0.172
 Raman2 Fr= 1--       1.723                  1.903                  8.965
 ROA2   Fr= 1--      23.774                 -3.906                  6.017
 CID2   Fr= 1--      13.797                 -2.053                  0.671
 Raman3 Fr= 1--       3.446                  3.806                 17.929
 ROA3   Fr= 1--     122.039                  5.299                 -3.778
 CID3   Fr= 1--      35.412                  1.392                 -0.211
 RC180  Fr= 1--       0.600                  0.304                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.04   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01   0.00
     7   6     0.00  -0.01  -0.02    -0.00  -0.04  -0.04     0.00   0.01   0.02
     8   6    -0.03  -0.00   0.01     0.00  -0.02  -0.02     0.05  -0.04   0.04
     9   1    -0.05  -0.01  -0.01     0.00  -0.02   0.01     0.02   0.01  -0.01
    10   1    -0.04   0.03   0.00     0.03  -0.03  -0.00     0.03  -0.02  -0.02
    11   1    -0.03  -0.00   0.01    -0.00   0.00  -0.00     0.02   0.00  -0.01
    12   1     0.07  -0.01  -0.01     0.02  -0.01   0.02    -0.00   0.00  -0.00
    13   1    -0.03   0.07   0.09    -0.01   0.03   0.03     0.00  -0.00  -0.01
    14   1    -0.07   0.07  -0.03    -0.03   0.01  -0.01     0.01  -0.00   0.00
    15   1    -0.05   0.05  -0.08    -0.07   0.08  -0.12     0.01  -0.01   0.02
    16   1    -0.07   0.05   0.05    -0.11   0.08   0.07     0.01  -0.02  -0.01
    17   1     0.00   0.20   0.03     0.03   0.44   0.07    -0.01  -0.21  -0.03
    18   1     0.01   0.02   0.21     0.06   0.02   0.44    -0.00  -0.02  -0.23
    19   6    -0.03   0.00  -0.01     0.01  -0.02  -0.00     0.02  -0.02  -0.01
    20   6     0.02  -0.01   0.03    -0.01  -0.02  -0.02    -0.00  -0.02   0.02
    21   1    -0.08   0.13  -0.20     0.05   0.24   0.16     0.09   0.18   0.28
    22   1     0.25  -0.32   0.08    -0.24   0.07   0.11    -0.36   0.24   0.04
    23   1     0.35   0.17   0.21     0.07  -0.00  -0.16    -0.08  -0.08  -0.30
    24   1     0.25  -0.05   0.02    -0.02   0.39   0.12     0.31   0.07   0.07
    25   1    -0.24  -0.11  -0.33    -0.02  -0.00   0.36    -0.30  -0.12  -0.22
    26   1    -0.14   0.36  -0.18     0.16  -0.03  -0.18    -0.12   0.38  -0.24
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1514.2534              1723.9781              2996.1003
 Red. masses --      1.0706                 6.8206                 1.0683
 Frc consts  --      1.4464                11.9437                 5.6501
 IR Inten    --      1.7239                 1.8564                28.2786
 RamAct Fr= 1--      4.9819               116.4075               127.7532
  Dep-P Fr= 1--      0.4970                 0.1805                 0.2566
  Dep-U Fr= 1--      0.6640                 0.3057                 0.4084
 Alpha2 Fr= 1--      0.0249                 1.6641                 1.4862
 Beta2  Fr= 1--      0.5513                 5.9319                 8.6966
 AlphaG Fr= 1--     -0.0610                -0.1115                -2.7169
 Gamma2 Fr= 1--      2.3865                -2.6657               -21.9963
 Delta2 Fr= 1--      0.0623                 2.2880                 4.8916
 Raman1 Fr= 1--      19.927                465.630                511.013
 ROA1   Fr= 1--     231.095               -182.695              -1955.115
 CID1   Fr= 1--      11.597                 -0.392                 -3.826
 Raman2 Fr= 1--       6.616                 71.183                104.359
 ROA2   Fr= 1--      56.777                -82.282               -567.045
 CID2   Fr= 1--       8.582                 -1.156                 -5.434
 Raman3 Fr= 1--      13.232                142.366                208.718
 ROA3   Fr= 1--     231.095               -182.695              -1955.115
 CID3   Fr= 1--      17.465                 -1.283                 -9.367
 RC180  Fr= 1--       0.328                 -0.389                 -0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01     0.05  -0.01  -0.03    -0.00  -0.00  -0.00
     2   6     0.01  -0.01   0.00    -0.02   0.01   0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.42   0.20   0.16     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.43  -0.27  -0.16    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.05   0.01   0.02     0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00    -0.04   0.02   0.02    -0.03   0.04  -0.05
     7   6     0.00   0.03   0.03     0.02  -0.01   0.00     0.00  -0.01   0.01
     8   6    -0.03  -0.01  -0.02     0.02   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01  -0.00   0.00     0.17   0.07  -0.01    -0.00  -0.00   0.00
    10   1    -0.02   0.01   0.00    -0.00  -0.06  -0.04    -0.00   0.00   0.00
    11   1    -0.01   0.00   0.00     0.36   0.19  -0.09    -0.00  -0.01  -0.00
    12   1     0.01   0.00  -0.01     0.20   0.01  -0.06     0.00  -0.06  -0.01
    13   1    -0.00  -0.00   0.00    -0.16  -0.02   0.16    -0.07   0.04  -0.06
    14   1    -0.00   0.01  -0.00    -0.21   0.03  -0.04    -0.02   0.02   0.09
    15   1     0.02  -0.03   0.04     0.04   0.30  -0.05     0.16  -0.07  -0.19
    16   1     0.03  -0.03  -0.03    -0.04   0.09   0.06     0.23  -0.39   0.83
    17   1    -0.02  -0.37  -0.06    -0.02  -0.01   0.01    -0.01   0.02  -0.08
    18   1    -0.05  -0.02  -0.35    -0.06  -0.01  -0.02     0.00   0.08  -0.01
    19   6    -0.02  -0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.04   0.50  -0.06    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    22   1    -0.04  -0.20   0.20     0.02   0.01  -0.02     0.00   0.00   0.00
    23   1     0.47   0.17  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    24   1    -0.10   0.18   0.04    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1     0.06   0.02   0.25     0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.12  -0.11  -0.03    -0.01  -0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6737              3014.3738              3022.6815
 Red. masses --      1.0392                 1.0359                 1.0396
 Frc consts  --      5.5426                 5.5457                 5.5962
 IR Inten    --     50.6205                37.8153                49.3614
 RamAct Fr= 1--    313.3530               139.4710               299.2422
  Dep-P Fr= 1--      0.0525                 0.0524                 0.0362
  Dep-U Fr= 1--      0.0997                 0.0996                 0.0698
 Alpha2 Fr= 1--      6.1534                 2.7393                 6.1085
 Beta2  Fr= 1--      5.2070                 2.3149                 3.4801
 AlphaG Fr= 1--     -1.0764                -0.1811                 0.1041
 Gamma2 Fr= 1--     -9.6325                -0.7345                 3.6523
 Delta2 Fr= 1--      1.7187                -0.1383                 0.4508
 Raman1 Fr= 1--    1253.412                557.884               1196.969
 ROA1   Fr= 1--    -869.724                -74.934                365.046
 CID1   Fr= 1--      -0.694                 -0.134                  0.305
 Raman2 Fr= 1--      62.484                 27.779                 41.761
 ROA2   Fr= 1--    -244.931                -16.520                 84.048
 CID2   Fr= 1--      -3.920                 -0.595                  2.013
 Raman3 Fr= 1--     124.968                 55.557                 83.522
 ROA3   Fr= 1--    -869.724                -74.934                365.046
 CID3   Fr= 1--      -6.960                 -1.349                  4.371
 RC180  Fr= 1--      -0.801                 -0.801                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   1     0.01  -0.36  -0.06    -0.00   0.01   0.00    -0.00   0.01   0.00
    13   1    -0.45   0.27  -0.37     0.01  -0.01   0.01     0.01  -0.01   0.01
    14   1    -0.14   0.11   0.62     0.00  -0.00  -0.02     0.00  -0.00  -0.02
    15   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    16   1    -0.04   0.07  -0.13     0.00  -0.01   0.01     0.00  -0.00   0.01
    17   1     0.00  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.02   0.07
    18   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.05  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.02  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.05  -0.01  -0.00     0.01  -0.00  -0.00
    21   1     0.01   0.00  -0.00    -0.09  -0.00   0.02     0.31   0.01  -0.08
    22   1    -0.01  -0.01  -0.01     0.10   0.12   0.12    -0.33  -0.42  -0.43
    23   1    -0.00   0.01  -0.00     0.07  -0.17   0.01    -0.21   0.54  -0.05
    24   1    -0.00  -0.01   0.02    -0.02  -0.14   0.41    -0.01  -0.04   0.13
    25   1    -0.01   0.02  -0.00    -0.18   0.57  -0.02    -0.05   0.16  -0.01
    26   1    -0.02  -0.01  -0.01    -0.37  -0.35  -0.35    -0.11  -0.10  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.9566              3046.2586              3048.0533
 Red. masses --      1.0751                 1.0973                 1.0766
 Frc consts  --      5.8345                 5.9993                 5.8931
 IR Inten    --     22.1002                16.3300                69.9743
 RamAct Fr= 1--     82.5192               113.9726               220.9549
  Dep-P Fr= 1--      0.6157                 0.5665                 0.1326
  Dep-U Fr= 1--      0.7621                 0.7233                 0.2341
 Alpha2 Fr= 1--      0.2033                 0.3955                 3.5688
 Beta2  Fr= 1--     10.4817                13.7395                 8.6226
 AlphaG Fr= 1--     -0.4005                -0.8612                 0.4387
 Gamma2 Fr= 1--     17.4188                21.0864               -52.3722
 Delta2 Fr= 1--     10.7788                11.3102               -31.4944
 Raman1 Fr= 1--     330.077                455.890                883.820
 ROA1   Fr= 1--    2017.124               2386.222              -6035.554
 CID1   Fr= 1--       6.111                  5.234                 -6.829
 Raman2 Fr= 1--     125.780                164.874                103.471
 ROA2   Fr= 1--     331.820                415.592              -1004.978
 CID2   Fr= 1--       2.638                  2.521                 -9.713
 Raman3 Fr= 1--     251.561                329.747                206.942
 ROA3   Fr= 1--    2017.124               2386.222              -6035.554
 CID3   Fr= 1--       8.018                  7.237                -29.165
 RC180  Fr= 1--       0.524                  0.447                 -0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.03   0.01  -0.08    -0.01   0.01  -0.02
     6   6    -0.03   0.01   0.05    -0.01   0.00   0.01     0.03  -0.01  -0.05
     7   6    -0.01  -0.03  -0.04     0.00   0.01   0.01    -0.01  -0.04  -0.03
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.01  -0.01   0.01     0.01   0.01  -0.01    -0.02  -0.03   0.03
    11   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1     0.00   0.04   0.00    -0.01   0.01  -0.02    -0.00  -0.03  -0.01
    13   1     0.03  -0.02   0.03     0.50  -0.29   0.37     0.11  -0.07   0.08
    14   1     0.00   0.00  -0.01    -0.17   0.12   0.64    -0.05   0.03   0.19
    15   1     0.45  -0.23  -0.47     0.10  -0.05  -0.10    -0.42   0.21   0.43
    16   1    -0.05   0.07  -0.13    -0.01   0.01  -0.03     0.04  -0.07   0.12
    17   1     0.07  -0.12   0.53    -0.02   0.03  -0.12     0.05  -0.09   0.38
    18   1     0.03   0.41  -0.06    -0.01  -0.16   0.02     0.05   0.59  -0.08
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.03   0.04   0.04    -0.01  -0.01  -0.01     0.02   0.03   0.03
    23   1     0.02  -0.05   0.01    -0.00   0.01  -0.00     0.01  -0.02   0.00
    24   1     0.00   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.01  -0.02
    25   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3065.2262              3068.9233              3070.0313
 Red. masses --      1.1013                 1.1008                 1.1031
 Frc consts  --      6.0965                 6.1082                 6.1259
 IR Inten    --      7.4328                35.1202                38.2896
 RamAct Fr= 1--     37.3958               184.5219                46.8890
  Dep-P Fr= 1--      0.7379                 0.7399                 0.7467
  Dep-U Fr= 1--      0.8492                 0.8505                 0.8550
 Alpha2 Fr= 1--      0.0077                 0.0316                 0.0026
 Beta2  Fr= 1--      5.2926                26.1569                 6.6814
 AlphaG Fr= 1--     -0.0242                -0.2823                 0.0089
 Gamma2 Fr= 1--    -17.1122               -18.7010                44.3251
 Delta2 Fr= 1--     -7.9829               -15.1905                28.7862
 Raman1 Fr= 1--     149.583                738.088                187.556
 ROA1   Fr= 1--   -1898.225              -2281.391               5176.365
 CID1   Fr= 1--     -12.690                 -3.091                 27.599
 Raman2 Fr= 1--      63.511                313.882                 80.177
 ROA2   Fr= 1--    -346.830               -327.300                833.512
 CID2   Fr= 1--      -5.461                 -1.043                 10.396
 Raman3 Fr= 1--     127.023                627.765                160.355
 ROA3   Fr= 1--   -1898.225              -2281.391               5176.365
 CID3   Fr= 1--     -14.944                 -3.634                 32.281
 RC180  Fr= 1--       0.698                  0.701                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.02
     7   6    -0.00   0.00  -0.00    -0.00   0.02  -0.02    -0.00   0.06  -0.06
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.05   0.07  -0.07
    11   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    12   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00   0.00   0.01    -0.03   0.02   0.03    -0.08   0.04   0.08
    16   1     0.00  -0.00   0.01     0.02  -0.02   0.05     0.04  -0.06   0.12
    17   1     0.00  -0.01   0.03     0.03  -0.05   0.25     0.09  -0.12   0.64
    18   1    -0.00  -0.02   0.00    -0.02  -0.24   0.03    -0.05  -0.60   0.06
    19   6     0.00   0.04   0.01    -0.01  -0.07  -0.02    -0.00   0.03   0.01
    20   6    -0.01  -0.08  -0.03    -0.01  -0.03  -0.01     0.00   0.02   0.01
    21   1    -0.01   0.01   0.01     0.04  -0.02  -0.02     0.04   0.01  -0.01
    22   1    -0.14  -0.17  -0.18     0.28   0.33   0.35    -0.09  -0.10  -0.11
    23   1     0.13  -0.31   0.03    -0.24   0.57  -0.07     0.10  -0.24   0.03
    24   1    -0.00  -0.02   0.01    -0.00  -0.02   0.03     0.00   0.01  -0.02
    25   1    -0.21   0.60  -0.03    -0.09   0.26  -0.01     0.05  -0.13   0.01
    26   1     0.39   0.34   0.36     0.18   0.15   0.16    -0.08  -0.07  -0.08
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.3739              3099.0003              3112.3083
 Red. masses --      1.1003                 1.0988                 1.0862
 Frc consts  --      6.1791                 6.2174                 6.1991
 IR Inten    --     27.4179                22.9595                15.2396
 RamAct Fr= 1--     59.9763                65.5617               121.2649
  Dep-P Fr= 1--      0.7273                 0.7264                 0.4744
  Dep-U Fr= 1--      0.8421                 0.8415                 0.6436
 Alpha2 Fr= 1--      0.0233                 0.0265                 0.6715
 Beta2  Fr= 1--      8.4181                 9.1954                13.0068
 AlphaG Fr= 1--     -0.0631                 0.0665                -0.3163
 Gamma2 Fr= 1--     -7.1886                 2.8254                 7.9236
 Delta2 Fr= 1--     -3.1731                 3.1409               -19.8555
 Raman1 Fr= 1--     239.905                262.247                485.060
 ROA1   Fr= 1--    -791.648                371.744                125.283
 CID1   Fr= 1--      -3.300                  1.418                  0.258
 Raman2 Fr= 1--     101.017                110.345                156.082
 ROA2   Fr= 1--    -147.142                 42.682                349.010
 CID2   Fr= 1--      -1.457                  0.387                  2.236
 Raman3 Fr= 1--     202.035                220.690                312.164
 ROA3   Fr= 1--    -791.648                371.744                125.283
 CID3   Fr= 1--      -3.918                  1.684                  0.401
 RC180  Fr= 1--       0.684                  0.683                  0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.07
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.02   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1     0.03  -0.02  -0.08    -0.01   0.01   0.02    -0.32   0.22   0.86
    10   1     0.02   0.03  -0.03     0.00   0.00  -0.00     0.09   0.10  -0.12
    11   1     0.00   0.02   0.00    -0.01  -0.08  -0.01    -0.02  -0.24  -0.02
    12   1     0.00   0.00  -0.00     0.01   0.91   0.15    -0.00  -0.04  -0.01
    13   1     0.00  -0.00   0.00    -0.18   0.09  -0.15     0.01  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.06   0.03   0.25     0.00  -0.00  -0.01
    15   1    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    17   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    18   1     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.03  -0.00
    19   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.02   0.04  -0.08    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1     0.01  -0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.06  -0.28   0.84    -0.00  -0.00   0.00    -0.01  -0.02   0.07
    25   1     0.10  -0.32  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.00
    26   1     0.18   0.18   0.15     0.00   0.00   0.00     0.01   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3118.3071              3130.0821              3139.7881
 Red. masses --      1.0956                 1.0887                 1.0892
 Frc consts  --      6.2768                 6.2846                 6.3264
 IR Inten    --     17.1619                38.8053                28.9496
 RamAct Fr= 1--     39.2337               134.4357               174.1843
  Dep-P Fr= 1--      0.5958                 0.2068                 0.1363
  Dep-U Fr= 1--      0.7467                 0.3427                 0.2400
 Alpha2 Fr= 1--      0.1123                 1.7932                 2.7872
 Beta2  Fr= 1--      4.8827                 7.6776                 6.9661
 AlphaG Fr= 1--      0.0370                 0.7844                 0.6903
 Gamma2 Fr= 1--      0.9993                16.6766                -1.9033
 Delta2 Fr= 1--      0.7506                15.4619                -2.3534
 Raman1 Fr= 1--     156.935                537.743                696.737
 ROA1   Fr= 1--     119.954               2095.731               -258.027
 CID1   Fr= 1--       0.764                  3.897                 -0.370
 Raman2 Fr= 1--      58.592                 92.132                 83.593
 ROA2   Fr= 1--      17.979                276.543                -26.853
 CID2   Fr= 1--       0.307                  3.002                 -0.321
 Raman3 Fr= 1--     117.184                184.263                167.186
 ROA3   Fr= 1--     119.954               2095.731               -258.027
 CID3   Fr= 1--       1.024                 11.374                 -1.543
 RC180  Fr= 1--       0.493                 -0.315                 -0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.02
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.04   0.05  -0.05
     3   6    -0.00   0.00  -0.00    -0.00  -0.08  -0.01    -0.00  -0.01  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.08   0.05   0.20    -0.07   0.05   0.19
    10   1    -0.02  -0.02   0.03     0.07   0.09  -0.10    -0.47  -0.57   0.61
    11   1    -0.00  -0.01  -0.00     0.10   0.95   0.09     0.01   0.11   0.01
    12   1     0.00   0.00   0.00     0.00   0.07   0.01     0.00   0.01   0.00
    13   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    17   1    -0.01   0.01  -0.07    -0.00   0.00  -0.01     0.01  -0.01   0.06
    18   1     0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.11   0.01
    19   6    -0.09   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   1     0.91   0.02  -0.25     0.01  -0.00  -0.00    -0.03  -0.00   0.01
    22   1     0.09   0.14   0.14     0.00   0.00   0.00    -0.00  -0.01  -0.01
    23   1     0.07  -0.21   0.02    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    25   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   708.744041950.835902141.63006
           X            0.99999  -0.00154  -0.00488
           Y            0.00145   0.99984  -0.01775
           Z            0.00490   0.01774   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12221     0.04440     0.04044
 Rotational constants (GHZ):           2.54639     0.92511     0.84270
 Zero-point vibrational energy     616701.4 (Joules/Mol)
                                  147.39517 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.29   167.09   274.70   279.18   299.14
          (Kelvin)            340.27   406.46   448.08   488.08   507.65
                              591.38   639.48   694.69   752.03   759.91
                             1014.39  1060.47  1099.55  1134.57  1214.72
                             1269.46  1322.81  1399.16  1399.94  1407.67
                             1424.67  1450.59  1493.04  1501.94  1549.14
                             1567.15  1606.76  1667.32  1686.35  1703.64
                             1743.59  1790.01  1834.78  1911.39  1923.02
                             1938.98  1989.16  2013.11  2029.85  2034.58
                             2048.45  2070.09  2126.12  2134.60  2136.82
                             2143.91  2145.86  2154.70  2170.88  2178.67
                             2480.42  4310.72  4328.81  4337.01  4348.96
                             4366.63  4382.89  4385.47  4410.18  4415.50
                             4417.09  4442.04  4458.77  4477.92  4486.55
                             4503.49  4517.45
 
 Zero-point correction=                           0.234889 (Hartree/Particle)
 Thermal correction to Energy=                    0.245272
 Thermal correction to Enthalpy=                  0.246216
 Thermal correction to Gibbs Free Energy=         0.200187
 Sum of electronic and zero-point Energies=           -390.619872
 Sum of electronic and thermal Energies=              -390.609489
 Sum of electronic and thermal Enthalpies=            -390.608545
 Sum of electronic and thermal Free Energies=         -390.654574
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.911             41.085             96.878
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.472
 Vibrational            152.133             35.124             26.768
 Vibration     1          0.602              1.954              3.589
 Vibration     2          0.608              1.936              3.164
 Vibration     3          0.634              1.852              2.219
 Vibration     4          0.635              1.848              2.189
 Vibration     5          0.641              1.829              2.062
 Vibration     6          0.655              1.785              1.829
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.700              1.652              1.355
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.729              1.569              1.153
 Vibration    11          0.775              1.446              0.923
 Vibration    12          0.804              1.373              0.813
 Vibration    13          0.839              1.288              0.702
 Vibration    14          0.878              1.200              0.604
 Vibration    15          0.883              1.188              0.591
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.832967D-92        -92.079372       -212.020590
 Total V=0       0.916308D+16         15.962041         36.753959
 Vib (Bot)       0.216617-105       -105.664307       -243.301058
 Vib (Bot)    1  0.220149D+01          0.342718          0.789136
 Vib (Bot)    2  0.176121D+01          0.245810          0.565999
 Vib (Bot)    3  0.104792D+01          0.020329          0.046809
 Vib (Bot)    4  0.102991D+01          0.012801          0.029475
 Vib (Bot)    5  0.956072D+00         -0.019509         -0.044922
 Vib (Bot)    6  0.830400D+00         -0.080713         -0.185847
 Vib (Bot)    7  0.679664D+00         -0.167706         -0.386157
 Vib (Bot)    8  0.606670D+00         -0.217047         -0.499770
 Vib (Bot)    9  0.547627D+00         -0.261515         -0.602160
 Vib (Bot)   10  0.521937D+00         -0.282382         -0.650209
 Vib (Bot)   11  0.430103D+00         -0.366428         -0.843731
 Vib (Bot)   12  0.387560D+00         -0.411661         -0.947884
 Vib (Bot)   13  0.345544D+00         -0.461497         -1.062636
 Vib (Bot)   14  0.308051D+00         -0.511378         -1.177491
 Vib (Bot)   15  0.303317D+00         -0.518104         -1.192978
 Vib (V=0)       0.238291D+03          2.377107          5.473491
 Vib (V=0)    1  0.275756D+01          0.440525          1.014346
 Vib (V=0)    2  0.233081D+01          0.367506          0.846214
 Vib (V=0)    3  0.166109D+01          0.220394          0.507477
 Vib (V=0)    4  0.164487D+01          0.216131          0.497660
 Vib (V=0)    5  0.157892D+01          0.198361          0.456743
 Vib (V=0)    6  0.146931D+01          0.167114          0.384794
 Vib (V=0)    7  0.134377D+01          0.128324          0.295477
 Vib (V=0)    8  0.128616D+01          0.109295          0.251662
 Vib (V=0)    9  0.124155D+01          0.093964          0.216360
 Vib (V=0)   10  0.122278D+01          0.087350          0.201131
 Vib (V=0)   11  0.115954D+01          0.064284          0.148020
 Vib (V=0)   12  0.113262D+01          0.054083          0.124530
 Vib (V=0)   13  0.110778D+01          0.044455          0.102361
 Vib (V=0)   14  0.108728D+01          0.036341          0.083677
 Vib (V=0)   15  0.108481D+01          0.035353          0.081403
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.615989D+06          5.789573         13.330984
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009419    0.000042392    0.000016614
      2        6          -0.000008271   -0.000045218    0.000011817
      3        6          -0.000008151   -0.000023645   -0.000003769
      4        6           0.000023259   -0.000039236   -0.000015306
      5        6           0.000001215    0.000004473   -0.000000488
      6        6          -0.000008302    0.000028118    0.000015205
      7        6           0.000010443   -0.000015847    0.000011267
      8        6           0.000000566    0.000047186   -0.000035115
      9        1          -0.000006100   -0.000000759    0.000002017
     10        1          -0.000000278   -0.000006161    0.000004115
     11        1          -0.000002635   -0.000000318   -0.000001982
     12        1          -0.000002550   -0.000000918   -0.000000715
     13        1          -0.000000613   -0.000000403   -0.000001300
     14        1          -0.000001460   -0.000000924   -0.000001510
     15        1           0.000000612    0.000000928   -0.000000967
     16        1          -0.000004877    0.000003173    0.000002446
     17        1          -0.000000548    0.000018789   -0.000028775
     18        1          -0.000000305   -0.000000203    0.000000329
     19        6           0.000003365   -0.000002149    0.000000964
     20        6           0.000001621    0.000000333   -0.000004526
     21        1          -0.000006152   -0.000004528    0.000026932
     22        1           0.000000927    0.000001320   -0.000001423
     23        1          -0.000002689   -0.000000649   -0.000000877
     24        1           0.000004960   -0.000009572    0.000001830
     25        1          -0.000002957    0.000003185    0.000002444
     26        1          -0.000000500    0.000000635    0.000000775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047186 RMS     0.000013755
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146894D+03 -0.522614D+01 -0.263224D+01
      2  -0.522614D+01  0.113871D+03  0.133811D+01
      3  -0.263224D+01  0.133811D+01  0.102526D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.448883D+01  0.657333D+00  0.143790D+01
      2   0.259059D+02 -0.550691D+01  0.867434D+01
      3  -0.183256D+02  0.952607D+01  0.805186D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.398264D+02 -0.113900D+02  0.102170D+02
      2   0.507130D+01  0.964717D+01 -0.188508D+02
      3   0.347551D+02  0.174281D+01  0.863373D+01
      4  -0.335198D+02 -0.201975D+02 -0.907434D+01
      5   0.183015D+02 -0.115028D+02  0.313584D+02
      6   0.374445D+01 -0.269944D+01 -0.739258D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.224075D+02 -0.447703D+00 -0.141276D+01 -0.275355D+01 -0.177879D+01
      2  -0.447703D+00  0.536819D-01 -0.307142D+00 -0.177879D+01 -0.621310D+01
      3  -0.141276D+01 -0.307142D+00 -0.438770D+01  0.299083D+00 -0.122521D+01
                 6             7             8             9            10 
      1   0.299083D+00 -0.585846D+01 -0.233150D+01 -0.565377D+01 -0.281736D+01
      2  -0.122521D+01 -0.233150D+01  0.321733D+00  0.150024D+01  0.225425D+01
      3   0.907362D+00 -0.565377D+01  0.150024D+01  0.301661D+01 -0.165988D+00
                11            12            13            14            15 
      1   0.225425D+01 -0.165988D+00 -0.157901D+00 -0.224499D+01  0.951345D+00
      2  -0.124281D+01  0.290598D+01 -0.224499D+01  0.586410D+01  0.151528D+01
      3   0.290598D+01 -0.191059D+01  0.951345D+00  0.151528D+01  0.434923D+00
                16            17            18            19            20 
      1  -0.121608D+01  0.448338D+01 -0.110883D+01  0.259114D+02 -0.431353D+01
      2   0.448338D+01  0.221850D+01  0.273653D-01 -0.431353D+01  0.482301D+01
      3  -0.110883D+01  0.273653D-01  0.138292D+01 -0.225621D+01 -0.101363D+00
                21            22            23            24            25 
      1  -0.225621D+01 -0.657537D+01  0.462783D+01  0.728851D+00 -0.616773D+01
      2  -0.101363D+00  0.462783D+01  0.407237D+01  0.342336D+00  0.638812D-01
      3   0.254611D+01  0.728851D+00  0.342336D+00 -0.287954D+01  0.388104D+01
                26            27            28            29            30 
      1   0.638812D-01  0.388104D+01 -0.220530D+02  0.508639D+01  0.266386D+01
      2  -0.661787D+00 -0.303129D+01  0.508639D+01 -0.384992D+01 -0.825797D+00
      3  -0.303129D+01 -0.444972D+01  0.266386D+01 -0.825797D+00 -0.395116D+01
                31            32            33            34            35 
      1   0.101010D+02 -0.623011D+01 -0.634727D+00  0.688942D+01 -0.143508D+01
      2  -0.623011D+01  0.102155D+01  0.493465D-01 -0.143508D+01  0.107442D+01
      3  -0.634727D+00  0.493465D-01  0.258697D+01 -0.465190D+01  0.960613D+00
                36            37            38            39            40 
      1  -0.465190D+01  0.119053D+02 -0.344174D+01  0.212921D+00 -0.364918D+01
      2   0.960613D+00 -0.344174D+01 -0.174287D+00 -0.422060D+00  0.150993D+01
      3   0.255776D+01  0.212921D+00 -0.422060D+00  0.293492D+01 -0.480026D+00
                41            42            43            44            45 
      1   0.150993D+01 -0.480026D+00  0.526889D-01 -0.149761D+00  0.654688D+01
      2   0.648745D+01  0.136385D+01 -0.149761D+00  0.169030D+01 -0.136080D+01
      3   0.136385D+01 -0.159677D+01  0.654688D+01 -0.136080D+01 -0.520144D+01
                46            47            48            49            50 
      1  -0.802815D+00 -0.348969D+01 -0.217180D+01 -0.526661D+01  0.499316D+01
      2  -0.348969D+01  0.190007D+01  0.540731D-01  0.499316D+01 -0.680067D+00
      3  -0.217180D+01  0.540731D-01  0.274414D+01 -0.356055D+00  0.869984D+00
                51            52            53            54            55 
      1  -0.356055D+00 -0.222877D+01 -0.787526D+00  0.478214D+01  0.235619D+01
      2   0.869984D+00 -0.787526D+00  0.226083D+01 -0.385664D+01  0.155919D+01
      3  -0.260998D+01  0.478214D+01 -0.385664D+01  0.226217D+01  0.126755D+01
                56            57            58            59            60 
      1   0.155919D+01  0.126755D+01  0.201249D+01 -0.861337D+00 -0.145557D+00
      2  -0.432300D+00  0.105024D+00 -0.861337D+00 -0.821615D+01 -0.775870D-01
      3   0.105024D+00 -0.100330D+01 -0.145557D+00 -0.775870D-01  0.140538D+01
                61            62            63            64            65 
      1   0.183438D+01  0.174921D+00 -0.116328D+01  0.130764D+02 -0.127971D+01
      2   0.174921D+00  0.738950D+00  0.584129D+00 -0.127971D+01  0.235150D+01
      3  -0.116328D+01  0.584129D+00 -0.551795D+01  0.461356D+01 -0.700062D+00
                66            67            68            69            70 
      1   0.461356D+01  0.189458D+01  0.598314D+01  0.661554D+00  0.126196D+02
      2  -0.700062D+00  0.598314D+01 -0.434596D+01  0.118411D+01 -0.193373D+00
      3   0.326109D+01  0.661554D+00  0.118411D+01  0.916197D+00  0.437792D+01
                71            72            73            74            75 
      1  -0.193373D+00  0.437792D+01  0.419495D+01 -0.111737D+01 -0.196618D+01
      2   0.679950D+00  0.108857D+01 -0.111737D+01  0.389829D+00  0.534128D+00
      3   0.108857D+01 -0.101160D+01 -0.196618D+01  0.534128D+00  0.250081D+01
                76            77            78            79            80 
      1  -0.287136D+01  0.322127D+00  0.333098D+00 -0.224075D+01  0.657099D+00
      2   0.322127D+00 -0.770193D+00 -0.150470D+01  0.657099D+00 -0.183653D+01
      3   0.333098D+00 -0.150470D+01 -0.239255D+01  0.306368D+01 -0.272715D+01
                81            82            83            84            85 
      1   0.306368D+01  0.301626D+01  0.155920D+01 -0.131845D+01  0.113429D+01
      2  -0.272715D+01  0.155920D+01  0.181942D+01 -0.150887D+01  0.158166D+01
      3  -0.844139D+01 -0.131845D+01 -0.150887D+01  0.180411D+01 -0.129450D+01
                86            87            88            89            90 
      1   0.158166D+01 -0.129450D+01 -0.195638D+01 -0.181222D+01  0.156309D+01
      2   0.433801D+01 -0.240979D+01 -0.181222D+01 -0.267711D+01  0.218870D+01
      3  -0.240979D+01  0.201697D+01  0.156309D+01  0.218870D+01 -0.289738D+01
                91            92            93            94            95 
      1   0.978742D-01 -0.151765D+01 -0.607187D+00 -0.157610D+01 -0.133453D+01
      2  -0.151765D+01 -0.102138D+01  0.117765D+00 -0.133453D+01 -0.105449D+02
      3  -0.607187D+00  0.117765D+00  0.217366D+00 -0.866477D-01 -0.177890D+01
                96            97            98            99           100 
      1  -0.866477D-01 -0.201224D+01  0.249475D+00 -0.620813D+00 -0.567156D+00
      2  -0.177890D+01  0.249475D+00 -0.866483D+00 -0.503087D+00 -0.821679D+00
      3  -0.112206D+01 -0.620813D+00 -0.503087D+00 -0.101709D+00 -0.413316D+00
               101           102           103           104           105 
      1  -0.821679D+00 -0.413316D+00 -0.259076D+01 -0.324301D+01 -0.851907D-01
      2  -0.441985D+00 -0.434288D-01 -0.324301D+01 -0.851183D+01 -0.507579D+00
      3  -0.434288D-01 -0.220186D+00 -0.851907D-01 -0.507579D+00 -0.101917D+01
               106           107           108           109           110 
      1  -0.872924D+00 -0.377497D+00 -0.829956D+00 -0.112637D+02  0.151864D+01
      2  -0.377497D+00 -0.982693D+00 -0.954017D+00  0.151864D+01 -0.108615D+01
      3  -0.829956D+00 -0.954017D+00  0.114830D-01 -0.235366D+01  0.641235D+00
               111           112           113           114           115 
      1  -0.235366D+01  0.498545D+01 -0.167157D+01  0.656659D+00 -0.516118D+01
      2   0.641235D+00 -0.167157D+01  0.834149D+00 -0.917038D+00  0.603826D+00
      3  -0.178655D+01  0.656659D+00 -0.917038D+00  0.100882D+01 -0.329611D+01
               116           117           118           119           120 
      1   0.603826D+00 -0.329611D+01 -0.461041D+01  0.279432D+00  0.206065D+01
      2  -0.114541D+01  0.822662D+00  0.279432D+00 -0.167439D+00  0.485620D-01
      3   0.822662D+00 -0.138886D+01  0.206065D+01  0.485620D-01 -0.196271D+01
               121           122           123           124           125 
      1   0.224418D+01 -0.897297D+00 -0.603106D+00  0.555675D+01  0.542048D+00
      2  -0.897297D+00 -0.207791D+00  0.935371D+00  0.542048D+00  0.102470D+01
      3  -0.603106D+00  0.935371D+00  0.100849D+01 -0.512800D+01  0.386657D+00
               126           127           128           129           130 
      1  -0.512800D+01 -0.560467D+01  0.261186D+01  0.264108D+01  0.234270D+01
      2   0.386657D+00  0.261186D+01 -0.228953D+01 -0.106194D+01 -0.219232D+01
      3   0.766302D+01  0.264108D+01 -0.106194D+01 -0.184350D+01 -0.873609D+00
               131           132           133           134           135 
      1  -0.219232D+01 -0.873609D+00  0.397558D+01 -0.146135D+01 -0.306082D+01
      2   0.191887D+01  0.121376D+01 -0.146135D+01  0.171573D+01  0.222329D+01
      3   0.121376D+01  0.125774D+01 -0.306082D+01  0.222329D+01  0.266717D+01
               136           137           138           139           140 
      1  -0.237017D+01  0.210770D+01 -0.119893D+01  0.196542D+01 -0.224087D+01
      2   0.210770D+01 -0.164849D+01  0.722632D+00 -0.224087D+01  0.368518D+01
      3  -0.119893D+01  0.722632D+00 -0.129948D+01  0.107804D+01 -0.228102D+01
               141           142           143           144           145 
      1   0.107804D+01 -0.275228D+01  0.219196D+01 -0.319850D+01  0.317343D-01
      2  -0.228102D+01  0.219196D+01 -0.439119D+01  0.333812D+01 -0.184344D+00
      3   0.189487D+01 -0.319850D+01  0.333812D+01 -0.498697D+01  0.702024D+00
               146           147           148           149           150 
      1  -0.184344D+00  0.702024D+00 -0.735231D+00  0.439814D+00 -0.220893D+00
      2   0.240494D+00  0.350942D-02  0.439814D+00  0.509655D+00  0.936748D+00
      3   0.350942D-02  0.540570D+00 -0.220893D+00  0.936748D+00 -0.610162D+00
               151           152           153           154           155 
      1   0.147049D+01 -0.338379D+00  0.733728D+00  0.229756D+00  0.124942D+01
      2  -0.338379D+00  0.134073D+01  0.103327D+01  0.124942D+01  0.621961D+00
      3   0.733728D+00  0.103327D+01  0.732875D+01 -0.143251D+00  0.665909D-01
               156           157           158           159           160 
      1  -0.143251D+00  0.109754D+01  0.390557D+00  0.666819D-01 -0.526716D+00
      2   0.665909D-01  0.390557D+00  0.127441D+02  0.502868D+00  0.540886D-01
      3   0.199640D+00  0.666819D-01  0.502868D+00  0.753416D+00  0.162290D+00
               161           162           163           164           165 
      1   0.540886D-01  0.162290D+00  0.407373D+01  0.295075D+00 -0.339937D+01
      2  -0.993040D+00  0.119626D+01  0.295075D+00 -0.339518D+01 -0.562339D+00
      3   0.119626D+01  0.382114D+00 -0.339937D+01 -0.562339D+00 -0.203901D+01
               166           167           168           169           170 
      1  -0.189692D+00 -0.473531D+01 -0.922518D+00 -0.436382D+01 -0.715988D+00
      2  -0.473531D+01  0.566536D+01 -0.338085D+01 -0.715988D+00 -0.185706D+01
      3  -0.922518D+00 -0.338085D+01 -0.336998D+01 -0.283531D+01 -0.273347D+01
               171           172           173           174           175 
      1  -0.283531D+01 -0.273802D+01 -0.767732D+00 -0.358741D+01 -0.151081D+01
      2  -0.273347D+01 -0.767732D+00 -0.378407D+01 -0.967077D+00 -0.626181D+01
      3  -0.452900D+00 -0.358741D+01 -0.967077D+00 -0.120329D+01 -0.142788D+01
               176           177           178           179           180 
      1  -0.626181D+01 -0.142788D+01 -0.446578D+01 -0.142770D+01 -0.256227D+01
      2   0.527227D+01 -0.186182D+00 -0.142770D+01 -0.703316D+00 -0.291892D+01
      3  -0.186182D+00 -0.292114D+01 -0.256227D+01 -0.291892D+01  0.479187D+01
               181           182           183           184           185 
      1  -0.596454D+01 -0.328781D+00  0.133949D+01 -0.386647D+00 -0.252676D+00
      2  -0.328781D+00 -0.697971D+00  0.610799D+00 -0.252676D+00 -0.760358D+00
      3   0.133949D+01  0.610799D+00 -0.233467D+01  0.369820D+00  0.673632D+00
               186           187           188           189           190 
      1   0.369820D+00  0.116863D+01  0.380097D+00 -0.127347D+01  0.296121D+01
      2   0.673632D+00  0.380097D+00  0.564579D+00  0.100807D+00  0.858305D+00
      3   0.180642D+00 -0.127347D+01  0.100807D+00  0.150136D+01  0.284889D+01
               191           192           193           194           195 
      1   0.858305D+00  0.284889D+01  0.204731D+01  0.175985D+01  0.185885D+01
      2   0.132083D+01  0.672400D+00  0.175985D+01  0.141164D+01  0.201268D+01
      3   0.672400D+00  0.314493D+01  0.185885D+01  0.201268D+01  0.368334D+01
               196           197           198           199           200 
      1   0.217819D+01  0.854589D+00  0.301870D+01  0.174507D+01 -0.198753D+01
      2   0.854589D+00  0.130511D+01  0.170874D+01 -0.198753D+01  0.241199D+01
      3   0.301870D+01  0.170874D+01  0.568624D+01  0.132995D+01 -0.827229D+00
               201           202           203           204           205 
      1   0.132995D+01 -0.239241D+01  0.338476D+01 -0.107841D+01  0.572170D+00
      2  -0.827229D+00  0.338476D+01 -0.806693D+01  0.299765D+01 -0.299268D+00
      3   0.133092D+01 -0.107841D+01  0.299765D+01 -0.204089D+01  0.958150D+00
               206           207           208           209           210 
      1  -0.299268D+00  0.958150D+00  0.392588D+00  0.598487D+00 -0.102417D+01
      2   0.999159D+00 -0.111380D+01  0.598487D+00  0.433223D+00 -0.654181D-01
      3  -0.111380D+01  0.100894D+01 -0.102417D+01 -0.654181D-01  0.905957D+00
               211           212           213           214           215 
      1   0.126151D+01  0.103859D+01 -0.534972D+00 -0.259856D+01 -0.238304D+00
      2   0.103859D+01  0.413710D+00 -0.115290D+01 -0.238304D+00 -0.123204D+01
      3  -0.534972D+00 -0.115290D+01  0.194948D+01  0.273191D+01  0.156399D+01
               216           217           218           219           220 
      1   0.273191D+01  0.359563D+01 -0.228695D+01  0.167673D+00 -0.506220D+01
      2   0.156399D+01 -0.228695D+01  0.225635D+01  0.162219D+00  0.488349D+01
      3  -0.723535D+01  0.167673D+00  0.162219D+00  0.398850D+00  0.585379D+00
               221           222           223           224           225 
      1   0.488349D+01  0.585379D+00  0.865922D+00  0.961555D-01  0.112784D+01
      2  -0.754473D+01 -0.217812D+00  0.961555D-01  0.112694D+00 -0.733505D+00
      3  -0.217812D+00 -0.966226D+00  0.112784D+01 -0.733505D+00 -0.374602D+00
               226           227           228           229           230 
      1   0.761134D+01  0.200646D+01  0.217104D+01  0.463137D+01  0.302972D+01
      2   0.200646D+01  0.160913D+01  0.747808D+00  0.302972D+01  0.162365D+01
      3   0.217104D+01  0.747808D+00  0.141273D+01  0.115473D+01  0.104195D+01
               231           232           233           234 
      1   0.115473D+01  0.523783D+01  0.121644D+01  0.243565D+01
      2   0.104195D+01  0.121644D+01  0.129926D+01  0.120926D+01
      3   0.152388D+01  0.243565D+01  0.120926D+01  0.179946D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.210178D+01 -0.109105D+01 -0.227784D+01 -0.106389D+01  0.761043D+01
      2  -0.312841D+02  0.663580D+00 -0.372978D+01 -0.365640D+01 -0.425051D+01
      3   0.307198D+02 -0.489835D+01  0.164044D+01  0.181634D+02  0.873379D+01
                 6             7             8             9            10 
      1   0.678992D+00  0.121960D+01  0.431971D+01  0.203538D+01  0.120697D+01
      2  -0.455952D+00 -0.225346D+02 -0.168683D+01 -0.560607D+01 -0.322342D+01
      3   0.291433D+01  0.115513D+02 -0.847218D+00  0.572439D+01 -0.701658D+01
                11            12            13            14            15 
      1  -0.332700D+01 -0.582575D+00 -0.544444D+00 -0.808881D+01 -0.465145D+01
      2   0.616371D+01  0.109438D+01 -0.898122D-01  0.143044D+01  0.203153D+01
      3  -0.280941D+01 -0.592312D+01  0.110578D+02 -0.140185D+02  0.199852D+00
                16            17            18            19            20 
      1  -0.183855D+01  0.332866D+01 -0.250373D+01  0.136768D+01  0.311512D+00
      2  -0.458914D+01  0.658780D+01  0.173731D+01  0.255697D+02 -0.330354D+01
      3  -0.129558D+02  0.102110D+01 -0.286387D+01 -0.467311D+02  0.128164D+02
                21            22            23            24            25 
      1   0.463183D+01  0.203486D+01 -0.431709D+01 -0.393402D+01  0.876867D+01
      2  -0.457041D+01 -0.787615D+01  0.474031D+01  0.313018D+01 -0.242265D+02
      3   0.270303D+01  0.239823D+02 -0.648642D+01 -0.323367D+01  0.113475D+02
                26            27            28            29            30 
      1   0.958521D+00 -0.373791D+01  0.150206D+00  0.800396D+00 -0.372817D+01
      2   0.312757D+01  0.854448D+01 -0.250160D+02  0.363108D+01  0.839650D+01
      3  -0.430933D+01 -0.992397D+01  0.420631D+02 -0.176582D+02 -0.558494D+01
                31            32            33            34            35 
      1   0.194594D+01  0.602034D+00  0.192610D+01 -0.626646D+01  0.101786D+02
      2   0.117663D+02 -0.328849D+01 -0.418809D+01  0.322125D+01 -0.316010D+01
      3  -0.180892D+02  0.731681D+01 -0.140589D+01 -0.148155D+02  0.199158D+01
                36            37            38            39            40 
      1   0.382953D+01 -0.539192D+00  0.276738D+00  0.144999D+01  0.100368D+01
      2  -0.636253D+01 -0.319949D+01  0.238175D+01 -0.962927D+01  0.347475D+01
      3   0.769581D+01 -0.246644D+02  0.172625D+01 -0.165348D+01  0.142669D+02
                41            42            43            44            45 
      1   0.347235D+01 -0.316466D+01  0.635042D+01  0.511201D+00 -0.550689D+01
      2  -0.579403D+01  0.576708D+01 -0.339173D+02  0.614147D+01  0.216482D+02
      3   0.236852D+02  0.573004D+01 -0.299719D+01  0.703141D+01 -0.120441D+02
                46            47            48            49            50 
      1   0.353749D+01  0.318669D+00 -0.487035D+01  0.194053D+01 -0.205271D+01
      2   0.698202D+01 -0.157987D+01 -0.439839D+01 -0.164362D+01 -0.538328D+00
      3  -0.101461D+02 -0.659770D+01 -0.533949D+01  0.101177D+02 -0.384737D+01
                51            52            53            54            55 
      1   0.276817D+01 -0.123007D+02  0.125745D+02 -0.258446D+01 -0.225201D+01
      2   0.535760D+01 -0.148997D+02  0.854112D+01 -0.310733D+01 -0.344736D+01
      3   0.287589D+01 -0.723513D+01  0.780082D+01 -0.313852D+01  0.100725D+02
                56            57            58            59            60 
      1  -0.831703D+00  0.266197D+01  0.351159D+00 -0.757427D+01 -0.542343D+01
      2  -0.421564D+00  0.169809D+01 -0.253318D+01  0.123261D+01 -0.785504D+00
      3   0.578392D+01  0.483190D+01  0.122318D+02 -0.600356D+01  0.389261D+00
                61            62            63            64            65 
      1   0.307396D+01  0.281011D+01  0.135471D+02  0.457079D-01  0.277544D+01
      2  -0.202021D+01 -0.120944D+01  0.319627D+01  0.272865D+02 -0.210232D+01
      3   0.499389D+01 -0.524963D-01 -0.113769D+01 -0.706775D+01 -0.113996D+02
                66            67            68            69            70 
      1   0.222355D+01 -0.469672D+01  0.240809D+01 -0.418031D+01 -0.190162D+01
      2   0.127098D+02  0.631320D+01  0.404558D+01  0.359471D+01  0.932941D+01
      3  -0.476484D+00 -0.144407D+02  0.939406D+01 -0.280763D+01 -0.996750D+01
                71            72            73            74            75 
      1   0.552540D+01  0.850304D-01 -0.136957D+01 -0.427385D+00  0.134653D+01
      2   0.448337D+01 -0.894581D+00  0.538177D+01 -0.108386D+01  0.875885D+00
      3  -0.222622D+01 -0.625663D+01 -0.401045D+01 -0.112398D+01  0.103696D+01
                76            77            78            79            80 
      1   0.341904D+00  0.161601D+00 -0.811934D+00  0.184143D+01  0.364714D+01
      2  -0.373110D+01 -0.865127D+00 -0.146211D+01 -0.305246D+01 -0.957897D+00
      3   0.706734D+01 -0.491045D+00  0.375705D+00  0.127886D+01  0.177736D+01
                81            82            83            84            85 
      1  -0.230499D+01  0.765385D+00  0.146308D-01 -0.186344D+01  0.133674D+00
      2  -0.242122D+01  0.229084D+01 -0.734672D+00  0.223126D+01 -0.356641D+00
      3  -0.747146D+00  0.189451D+01 -0.211284D+01 -0.109104D+00  0.315488D+01
                86            87            88            89            90 
      1  -0.127434D+01 -0.280151D+01 -0.972797D+00  0.619017D+00  0.288276D+01
      2  -0.101436D+01  0.123941D+01 -0.212116D+01  0.116501D+00 -0.210722D+01
      3  -0.401536D+01  0.135995D+01 -0.565684D+00  0.181382D+01  0.139774D-01
                91            92            93            94            95 
      1  -0.749698D+00  0.121511D+01 -0.454462D+00  0.109523D+01  0.634329D+01
      2   0.219358D+00 -0.129939D+01 -0.465709D-01 -0.153545D+01 -0.663237D+00
      3  -0.154904D+00  0.157158D-01  0.934778D+00  0.442965D+01 -0.768442D+01
                96            97            98            99           100 
      1  -0.425152D+01 -0.406744D+01  0.122744D+01  0.102426D+01 -0.875499D+00
      2   0.150730D+01 -0.230561D+01  0.334023D-02 -0.827821D+00  0.157996D+01
      3  -0.961710D+00  0.572256D+01 -0.970460D+00  0.444113D+00 -0.341283D+01
               101           102           103           104           105 
      1  -0.452333D+00 -0.168036D+00 -0.581367D+00 -0.232578D+01 -0.405599D+01
      2   0.350666D+00  0.150840D+01  0.238745D+00  0.184779D+01  0.416480D+01
      3  -0.225003D+01  0.487666D+00 -0.488488D+01 -0.280181D+02 -0.206751D+01
               106           107           108           109           110 
      1  -0.165592D+00 -0.220350D+00 -0.475535D+00 -0.555064D+00  0.890243D+00
      2   0.170393D+01  0.267029D+01 -0.103884D+00  0.881260D+01 -0.224996D+01
      3   0.825457D-02 -0.323626D+01 -0.204971D+01  0.159200D+02 -0.814549D+01
               111           112           113           114           115 
      1  -0.106072D+01  0.258679D+00 -0.106545D+01 -0.162499D+00 -0.156552D+01
      2   0.932189D+01 -0.334648D+01  0.332066D+01 -0.427661D+01  0.116825D+02
      3   0.459783D+01 -0.878006D+01  0.489856D+01 -0.396873D+01  0.652269D+01
               116           117           118           119           120 
      1   0.166824D+01 -0.818847D+00  0.226400D+01 -0.740737D+00 -0.188994D+01
      2  -0.331496D+01  0.550689D+01 -0.675889D+01 -0.554694D+00  0.823332D+01
      3  -0.591644D+01  0.593943D+01  0.649646D+01 -0.244081D+01 -0.231313D+01
               121           122           123           124           125 
      1  -0.998101D+00  0.102977D+01  0.607223D+00 -0.356835D+01  0.336441D+01
      2   0.189081D+01 -0.305022D+01 -0.387609D+01  0.169631D+02 -0.157200D+01
      3  -0.316654D+01  0.343542D-01  0.337296D+01 -0.395268D+01  0.466708D+01
               126           127           128           129           130 
      1   0.739466D+01 -0.472866D+01  0.115694D+01  0.398463D+01  0.999026D+00
      2  -0.291498D+02 -0.514137D+01  0.298290D+01  0.589332D+01  0.187074D+01
      3   0.665637D+01 -0.407380D+01 -0.438607D+01  0.170077D+01  0.665606D+00
               131           132           133           134           135 
      1  -0.149230D+01 -0.305424D+01  0.521006D+01 -0.167150D+01 -0.467752D+01
      2  -0.274365D+01 -0.350866D+01  0.432089D+01 -0.492840D+01 -0.666979D+01
      3   0.612913D+00  0.936494D+00  0.500950D+01  0.217774D+01  0.188098D+00
               136           137           138           139           140 
      1   0.194186D+01 -0.109761D+01  0.240440D+01 -0.110350D+01  0.223963D+01
      2   0.150120D+01 -0.766563D+00  0.390337D+01 -0.469914D+00  0.349047D+01
      3   0.124656D+01 -0.159108D+01  0.176742D+00 -0.599332D+00  0.680084D+01
               141           142           143           144           145 
      1  -0.482871D+01  0.614804D+01 -0.431756D+01  0.857874D+01 -0.257787D+01
      2  -0.414226D+01  0.414490D+01 -0.618054D+01  0.969001D+01 -0.629336D+00
      3  -0.328983D+01  0.440080D+00 -0.918517D+01  0.327399D+01 -0.128294D+00
               146           147           148           149           150 
      1   0.906423D+00 -0.180848D+01  0.114333D+01 -0.172911D+01  0.176322D+01
      2   0.420687D+00 -0.197976D+00  0.176462D+01 -0.148599D+01  0.959178D+00
      3  -0.273168D+01  0.182067D+01 -0.182297D+01  0.830129D+00  0.149676D+00
               151           152           153           154           155 
      1  -0.227147D+01  0.206997D+01 -0.165077D+02  0.101144D+01  0.442932D+00
      2  -0.423698D+01  0.933908D-01 -0.383923D+01  0.612950D+00 -0.621183D+00
      3   0.434546D+01 -0.597145D+00  0.131686D+01  0.820473D+00  0.147942D+01
               156           157           158           159           160 
      1  -0.643344D+00 -0.841762D-01  0.494799D+01 -0.454883D+01 -0.712861D+00
      2   0.990821D+00 -0.125461D+01 -0.868690D+00 -0.264864D+00 -0.611551D+00
      3  -0.827512D+00  0.721956D+01  0.567018D+01  0.253813D+00 -0.142557D+01
               161           162           163           164           165 
      1  -0.161408D+01 -0.412345D+00 -0.178704D+01 -0.739336D+01 -0.289819D+01
      2  -0.349424D+00 -0.612492D+00 -0.166452D+02 -0.269430D+01  0.743839D+01
      3  -0.728294D+00  0.121098D+01 -0.404594D+01  0.334750D+01  0.438313D+01
               166           167           168           169           170 
      1  -0.109638D+02  0.863006D+01 -0.126760D+02 -0.394789D+01 -0.524403D+01
      2  -0.378781D+01  0.146453D+01 -0.404166D+01  0.415172D-01 -0.338562D+01
      3   0.109317D+02 -0.704373D+01  0.656394D+01  0.530172D+01  0.452029D+01
               171           172           173           174           175 
      1  -0.679471D+01 -0.108506D+01  0.114192D+01 -0.585443D+00  0.293167D+01
      2   0.159493D+01 -0.147037D+02 -0.374778D+01 -0.623086D+01 -0.542902D+01
      3   0.710523D+01  0.513290D+01  0.142774D+02  0.481461D+01  0.292372D+02
               176           177           178           179           180 
      1  -0.281014D+01 -0.280310D+01 -0.416922D+00  0.130320D+01  0.343220D+01
      2  -0.468665D+01 -0.117644D+02 -0.175407D+02 -0.111649D+02  0.172317D+02
      3  -0.174041D+02  0.129750D+01  0.720392D+01  0.212872D+01  0.119855D+02
               181           182           183           184           185 
      1   0.220138D+00 -0.228840D+01 -0.105932D+01 -0.138201D+01 -0.122394D+00
      2   0.198270D+02  0.109140D+01 -0.413755D+01  0.998671D+00  0.200620D+01
      3   0.689951D+01 -0.479612D+00 -0.160011D+01  0.230370D+01  0.976849D+00
               186           187           188           189           190 
      1   0.391711D+00 -0.108027D+01  0.213026D+01  0.101903D+01  0.420854D+01
      2  -0.366159D+00 -0.636025D+01 -0.600851D+00  0.406506D+01  0.354929D+00
      3  -0.934360D+00 -0.110824D+01 -0.528257D-01  0.111302D+01 -0.310629D+01
               191           192           193           194           195 
      1   0.432531D+01  0.363512D+01  0.486997D+01  0.590631D+01  0.543061D+01
      2  -0.544696D+00  0.289394D+01 -0.108502D+01  0.130039D+01  0.473638D+01
      3  -0.404052D+01 -0.325322D+01 -0.319265D+01 -0.445456D+01 -0.478621D+01
               196           197           198           199           200 
      1   0.436814D+01  0.613433D+01  0.764666D+01 -0.252387D+01  0.450002D+01
      2  -0.185101D+01  0.149853D+01  0.617321D+01 -0.504140D+00  0.150693D+01
      3  -0.221594D+01 -0.392888D+01 -0.499600D+01  0.162315D+01 -0.393320D+01
               201           202           203           204           205 
      1   0.851020D+00  0.581771D+01 -0.135381D+02  0.797697D+00  0.413583D-01
      2   0.170500D+01  0.322802D+01  0.434338D+00 -0.322124D+01 -0.652992D+00
      3   0.674411D+00 -0.995511D+00  0.119465D+02 -0.435254D+01 -0.418853D+00
               206           207           208           209           210 
      1   0.224772D+01 -0.106189D+01 -0.825195D+00 -0.393821D+00  0.377625D+00
      2  -0.872675D+00  0.487554D+00 -0.416160D+01  0.173154D+00  0.351917D+01
      3  -0.132206D+01  0.979401D+00 -0.228027D+01 -0.206801D+01  0.795828D+00
               211           212           213           214           215 
      1  -0.357261D+00 -0.124882D+01  0.273290D+00  0.790401D+00  0.398252D+01
      2  -0.216638D+00 -0.308585D+01  0.687995D+01  0.412708D+01  0.564134D+01
      3  -0.232958D+01 -0.211498D+01  0.409060D+01  0.105131D+01  0.526826D+01
               216           217           218           219           220 
      1  -0.276303D+01  0.100466D+01 -0.107600D+01  0.928032D+00 -0.137166D+01
      2  -0.242754D+02  0.217597D+01 -0.623222D+00  0.317335D+01 -0.355623D+00
      3  -0.668340D+01  0.630185D+01 -0.891798D+01 -0.691157D+00 -0.122155D+02
               221           222           223           224           225 
      1   0.348068D+01 -0.314775D+01  0.439553D+00  0.380230D+00  0.482677D-01
      2   0.185640D+01 -0.432499D+01  0.297819D+01 -0.196710D+01 -0.942011D+00
      3   0.259549D+02  0.279008D+00 -0.127642D+01 -0.419878D+00  0.167074D+01
               226           227           228           229           230 
      1   0.428783D-01  0.431157D-01 -0.604376D+00 -0.401534D+00  0.138912D+00
      2   0.108008D+02  0.362992D+01  0.861604D+01  0.582164D+01  0.516541D+01
      3  -0.973167D+01 -0.880554D+01 -0.349854D+01 -0.108777D+02 -0.789118D+01
               231           232           233           234 
      1  -0.140316D+01  0.204294D+00  0.103002D+01 -0.702603D+00
      2   0.731051D+01  0.897250D+01  0.506418D+01  0.835786D+01
      3  -0.429501D+01 -0.584252D+01 -0.640551D+01 -0.547683D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.188685D+01  0.571914D-01 -0.834126D+01  0.421281D+01 -0.364295D+01
      2   0.980776D+01 -0.213639D+01 -0.125219D+01 -0.222192D+01  0.631229D+01
      3  -0.116946D+02  0.207920D+01  0.959346D+01 -0.199089D+01 -0.266934D+01
      4   0.129142D+02  0.195516D+01 -0.272508D+01 -0.204203D+01 -0.766786D-01
      5   0.585538D+00 -0.394232D+01 -0.110010D+02  0.220120D+01 -0.149350D+01
      6  -0.987569D+00 -0.108426D+01  0.174852D+01  0.520421D+00  0.819521D+01
                 6             7             8             9            10 
      1   0.526146D+01 -0.244891D+02  0.101420D+01  0.922981D+01 -0.799284D+01
      2   0.442228D+00  0.143676D+01  0.382810D+01  0.819402D+01  0.499123D+01
      3  -0.570369D+01  0.230524D+02 -0.484230D+01 -0.174238D+02  0.300161D+01
      4  -0.127900D+01 -0.623193D+01  0.402471D+01  0.764236D+01  0.424768D+01
      5   0.305257D+01 -0.151986D+02  0.548862D+01  0.126907D+02  0.266140D+00
      6  -0.208095D+01  0.849414D+01 -0.223139D+01 -0.104060D+02  0.425792D+01
                11            12            13            14            15 
      1   0.748227D+01 -0.467574D+01  0.809820D+01 -0.114013D+02 -0.136196D+01
      2   0.597745D+00  0.549121D+01 -0.310749D+01  0.128814D+02  0.412447D+01
      3  -0.808002D+01 -0.815466D+00 -0.499071D+01 -0.148014D+01 -0.276251D+01
      4  -0.634693D+01  0.830067D+01 -0.845580D+01  0.146799D+01  0.734558D+01
      5   0.784258D+01 -0.526721D+01  0.184753D+01  0.485997D+01 -0.359279D+01
      6   0.471846D+01 -0.584620D+01  0.698241D+01  0.467228D+01 -0.379887D+01
                16            17            18            19            20 
      1  -0.814828D+01  0.693003D+01 -0.219279D+01 -0.508426D+02  0.147386D+02
      2   0.621653D+01 -0.160320D+01  0.122571D+01  0.197111D+02 -0.111627D+02
      3   0.193174D+01 -0.532683D+01  0.967087D+00  0.311315D+02 -0.357587D+01
      4   0.130930D+02  0.548515D+01 -0.418184D+01 -0.126271D+02 -0.863027D+01
      5  -0.588166D+01 -0.319683D+01  0.431390D+01 -0.104208D+01  0.149725D+01
      6  -0.564356D+01 -0.634121D+01  0.829732D+01  0.530422D+01 -0.170268D+01
                21            22            23            24            25 
      1   0.527619D+01  0.280798D+02  0.548046D+01 -0.314241D+01  0.182701D+02
      2  -0.344916D-01 -0.227273D+02 -0.214101D+02 -0.423861D+01 -0.141480D+01
      3  -0.524170D+01 -0.535255D+01  0.159296D+02  0.738102D+01 -0.168553D+02
      4   0.176814D+01 -0.150324D+01 -0.118351D+02 -0.128503D+01  0.299637D+01
      5  -0.384392D+01 -0.483298D+01 -0.264640D+01  0.404329D+01  0.341866D+01
      6  -0.601487D+01 -0.526458D+01 -0.887458D+01  0.693836D+01 -0.116330D+02
                26            27            28            29            30 
      1  -0.391816D+01 -0.238062D+02  0.678186D+02 -0.250447D+02 -0.143207D+02
      2  -0.538922D+01 -0.556420D+00 -0.358610D+02  0.125429D+02  0.270461D+01
      3   0.930738D+01  0.243626D+02 -0.319577D+02  0.125018D+02  0.116161D+02
      4   0.485947D+01  0.271254D+01  0.100724D+01  0.617760D+01  0.172766D+01
      5   0.386365D+01  0.109662D+02 -0.117084D+01  0.364092D+01  0.139817D+02
      6   0.131719D+02  0.128065D+02 -0.453316D+01  0.723383D+01  0.619093D+01
                31            32            33            34            35 
      1  -0.251223D+02  0.919384D+01  0.338343D+01 -0.148406D+02  0.551214D+01
      2   0.105182D+02  0.528372D+01  0.191964D+01  0.498547D+01 -0.181616D+01
      3   0.146041D+02 -0.144776D+02 -0.530307D+01  0.985517D+01 -0.369598D+01
      4   0.141401D+02  0.297910D+01 -0.804653D-01  0.144654D+01  0.107784D+01
      5  -0.144682D+01  0.323449D+01 -0.700467D+01  0.234886D+02 -0.487036D+01
      6   0.629252D+01 -0.548164D+01 -0.383683D+01  0.541731D+01  0.275577D+01
                36            37            38            39            40 
      1   0.106918D+02 -0.636638D+02  0.251472D+02 -0.120564D+02  0.347317D+02
      2  -0.113118D+02  0.394633D+02 -0.141362D+02  0.340383D+01 -0.256588D+02
      3   0.619998D+00  0.242006D+02 -0.110110D+02  0.865260D+01 -0.907290D+01
      4  -0.108957D+01  0.131991D+02  0.234509D+01  0.385099D+01 -0.678394D+01
      5  -0.530456D+01 -0.151867D+02  0.419971D+01 -0.231303D+02  0.530342D+01
      6  -0.653128D+01  0.826817D+00 -0.355780D+00 -0.285529D+01 -0.924766D+00
                41            42            43            44            45 
      1   0.674124D+01  0.776641D+01 -0.197579D+02  0.738647D+01 -0.298028D+02
      2  -0.211914D+02 -0.516103D+01  0.183148D+01 -0.610511D+01  0.286137D+02
      3   0.144502D+02 -0.260538D+01  0.179264D+02 -0.128137D+01  0.118911D+01
      4  -0.401550D+02 -0.848765D+01  0.262480D+01 -0.982505D+01  0.399339D+01
      5  -0.107145D+02  0.116172D+02 -0.524476D+02  0.111290D+02  0.372507D+02
      6  -0.264512D+01  0.271031D+01 -0.791003D+01  0.188611D+01  0.759510D+01
                46            47            48            49            50 
      1   0.741669D+01  0.756666D+01  0.928773D+01  0.723240D+01 -0.130949D+02
      2  -0.517363D+01 -0.330467D+01 -0.416971D+01 -0.896996D+00  0.973952D+01
      3  -0.224306D+01 -0.426199D+01 -0.511801D+01 -0.633541D+01  0.335543D+01
      4   0.157311D+02 -0.152947D+02 -0.696059D+01 -0.258820D+02  0.655672D+01
      5   0.117871D+02 -0.481292D+01 -0.144432D+02  0.146826D+01 -0.432205D+01
      6  -0.952381D+01 -0.286863D+01  0.115595D+02 -0.611549D+01  0.100594D+02
                51            52            53            54            55 
      1  -0.129697D+01  0.880947D+01 -0.484228D+01 -0.585635D+01 -0.117538D+02
      2   0.222606D+01 -0.457185D+01  0.408790D+01  0.680727D+00  0.928930D+01
      3  -0.929084D+00 -0.423762D+01  0.754382D+00  0.517562D+01  0.246448D+01
      4  -0.249915D+01 -0.117929D+01 -0.986202D+01  0.243156D+02  0.707239D+00
      5   0.122323D+02 -0.259518D+02  0.209976D+02 -0.683047D+01 -0.130982D+01
      6  -0.123388D+02  0.212030D+02 -0.231215D+02  0.107530D+02  0.774411D+01
                56            57            58            59            60 
      1   0.201510D+01 -0.130303D+01 -0.231262D+01  0.315967D+02 -0.157804D+01
      2  -0.677199D+01  0.125959D+01 -0.683286D+00 -0.535906D+02 -0.135308D+01
      3   0.475689D+01  0.434430D-01  0.299591D+01  0.219938D+02  0.293113D+01
      4   0.344083D+00  0.310638D+01  0.654430D+01  0.433767D+01 -0.710353D+00
      5   0.177708D+01 -0.229514D+00 -0.103525D+01 -0.123946D+01 -0.828053D-01
      6   0.133658D+00 -0.209972D+01 -0.353132D+00 -0.397437D+01  0.479179D+01
                61            62            63            64            65 
      1  -0.986864D+00 -0.225047D+01  0.117180D+02  0.472515D+01 -0.294174D+01
      2   0.112775D+01  0.629895D+01  0.780414D+01 -0.879319D+01 -0.546367D+00
      3  -0.140890D+00 -0.404849D+01 -0.195221D+02  0.406804D+01  0.348811D+01
      4  -0.312240D+00  0.570531D+00 -0.540181D+01 -0.706868D+01  0.999827D+01
      5   0.477615D+01 -0.204081D+01  0.595320D+00  0.179450D+02 -0.777573D+00
      6  -0.387819D+01  0.401531D+01 -0.178022D+02 -0.447708D+01  0.321708D+01
                66            67            68            69            70 
      1   0.169131D+02 -0.559389D+01  0.154683D+02 -0.283547D+00  0.245466D+02
      2  -0.105890D+02  0.803787D+00 -0.587408D+01 -0.138004D+01 -0.144274D+02
      3  -0.632409D+01  0.479010D+01 -0.959427D+01  0.166359D+01 -0.101192D+02
      4  -0.280289D+01  0.203535D+02 -0.174970D+02  0.350909D+01 -0.461925D+01
      5   0.110107D+02  0.432945D+00  0.527292D+01  0.521265D+01  0.176704D+02
      6   0.879257D+00  0.588597D+00 -0.455450D+01  0.217795D+01 -0.260251D+01
                71            72            73            74            75 
      1  -0.123535D+01  0.514862D+01 -0.121334D+01  0.665125D-01  0.404248D+01
      2  -0.189204D+01 -0.821522D+01 -0.564764D+01  0.142604D+01  0.430436D+01
      3   0.312738D+01  0.306660D+01  0.686098D+01 -0.149255D+01 -0.834684D+01
      4   0.275271D+01  0.392022D+01 -0.628170D+01  0.501218D+01  0.391064D+01
      5   0.528223D+01 -0.549886D+01 -0.836573D+01  0.366542D+01  0.131810D+02
      6   0.351027D+01  0.191432D+01  0.468552D+01 -0.249345D+01 -0.412242D+01
                76            77            78            79            80 
      1   0.429645D+01 -0.705919D+01 -0.771735D+01  0.607752D+01 -0.765960D+01
      2  -0.692381D+00  0.128052D+01 -0.604417D+00  0.608150D+01 -0.265735D+01
      3  -0.360407D+01  0.577867D+01  0.832176D+01 -0.121590D+02  0.103169D+02
      4   0.425875D+01 -0.218307D+01 -0.425490D+01  0.508698D+01 -0.428903D+01
      5   0.385570D+01 -0.429700D+01 -0.506977D+01  0.137818D+02 -0.642070D+01
      6  -0.295469D+01  0.602748D+01  0.106332D+02 -0.472341D+01  0.104895D+02
                81            82            83            84            85 
      1  -0.268655D+02  0.634760D+01 -0.141175D+01  0.639061D+00 -0.148190D+01
      2  -0.150290D+02 -0.201656D+01  0.278643D+01 -0.361802D+00  0.353412D+01
      3   0.418945D+02 -0.433104D+01 -0.137469D+01 -0.277259D+00 -0.205223D+01
      4  -0.786175D+01  0.117261D+02  0.129696D+02 -0.840960D+01  0.113711D+02
      5  -0.199094D+02 -0.737883D+01 -0.682857D+01  0.896209D+01 -0.554550D+01
      6   0.173354D+02 -0.809835D+01 -0.697307D+01  0.685146D+01 -0.718530D+01
                86            87            88            89            90 
      1  -0.108815D+02  0.529652D+01  0.125548D+00  0.495804D+01 -0.682032D+01
      2   0.141875D+02 -0.533862D+01  0.467464D-02 -0.450292D+01  0.394487D+00
      3  -0.330601D+01  0.420961D-01 -0.130222D+00 -0.455118D+00  0.642584D+01
      4   0.168980D+02 -0.961129D+01 -0.892487D+01 -0.100926D+02  0.103205D+02
      5  -0.787444D+01  0.591050D+01  0.797200D+01  0.756895D+01 -0.962565D+01
      6  -0.155470D+02  0.131280D+02  0.784877D+01  0.137302D+02 -0.140370D+02
                91            92            93            94            95 
      1  -0.247936D+01  0.811696D+00  0.173091D+01  0.961567D+00 -0.337915D+02
      2   0.411251D+01  0.288834D+01 -0.476570D+00  0.250215D+01  0.491990D+02
      3  -0.163314D+01 -0.370003D+01 -0.125434D+01 -0.346372D+01 -0.154075D+02
      4   0.307755D+01  0.101499D+02  0.130556D+01  0.901140D+01  0.203554D+02
      5   0.103081D+01  0.174147D+01  0.168139D+01  0.234286D+01  0.533660D+01
      6   0.372020D+01  0.888685D-01  0.776435D-01  0.141164D+01  0.165920D+02
                96            97            98            99           100 
      1  -0.689314D+01  0.331284D+01 -0.385282D+01 -0.118781D+01  0.427414D+01
      2   0.681922D+01 -0.306134D+01  0.410969D+01  0.315875D+01  0.115428D+01
      3   0.739213D-01 -0.251505D+00 -0.256867D+00 -0.197094D+01 -0.542841D+01
      4   0.346203D+01  0.122472D+01 -0.406854D-01  0.903078D+00  0.699265D+01
      5   0.344059D+01  0.225799D+01  0.120369D+01 -0.391270D+00  0.287924D+01
      6   0.960744D+01  0.338755D+01  0.507532D+01  0.161881D+01  0.823325D+00
               101           102           103           104           105 
      1   0.618583D+01  0.290713D+01  0.941614D+01 -0.735827D+01 -0.955733D+00
      2  -0.188237D+01 -0.121173D+01  0.459183D+01  0.320440D+02  0.197246D+01
      3  -0.430347D+01 -0.169540D+01 -0.140080D+02 -0.246858D+02 -0.101673D+01
      4   0.974853D+01  0.861305D+00  0.273892D+02  0.578183D+02  0.385279D+01
      5   0.141743D+00  0.307772D+01  0.784966D+00  0.486199D+01  0.783039D+01
      6   0.137551D+00  0.235931D+00  0.480456D+00  0.160815D+00  0.671522D+01
               106           107           108           109           110 
      1   0.512584D+01 -0.976133D+00  0.493780D+00  0.869322D+02 -0.132774D+02
      2  -0.122943D+01  0.264080D+01  0.445851D+00 -0.476910D+02  0.850472D+01
      3  -0.389641D+01 -0.166467D+01 -0.939631D+00 -0.392412D+02  0.477273D+01
      4   0.332544D+01  0.702393D+01  0.606228D+01 -0.232422D+01  0.105702D+02
      5   0.728203D+01  0.580768D+01 -0.921034D-01  0.275235D+02 -0.529734D+01
      6   0.244058D+01  0.672440D+01  0.138499D+01  0.126420D+01 -0.231968D+00
               111           112           113           114           115 
      1   0.204913D+02 -0.357777D+02  0.109617D+02 -0.596998D+01  0.400454D+02
      2  -0.117573D+02  0.205700D+02 -0.459656D+01  0.426124D+01 -0.223653D+02
      3  -0.873397D+01  0.152077D+02 -0.636517D+01  0.170875D+01 -0.176801D+02
      4  -0.259632D+01  0.118034D+02 -0.619785D+01  0.649991D+01 -0.967435D+00
      5   0.186027D+02 -0.923761D+01  0.774917D+01 -0.835875D+01  0.324702D+02
      6   0.214731D+01  0.154681D+01 -0.391974D+00  0.666682D+00  0.280465D+01
               116           117           118           119           120 
      1  -0.549362D+01  0.196626D+02  0.274449D+02 -0.281797D+01 -0.116189D+02
      2   0.463690D+01 -0.157418D+02 -0.190126D+02  0.194372D+01  0.928068D+01
      3   0.856721D+00 -0.392080D+01 -0.843232D+01  0.874252D+00  0.233821D+01
      4   0.862853D+01 -0.317527D+01  0.279567D+01  0.345580D+01 -0.240156D+01
      5  -0.682357D+01  0.138445D+02 -0.160389D+02 -0.234774D+00  0.200333D+02
      6   0.116304D+01  0.258712D+00 -0.315146D+01 -0.715304D+00  0.328427D+01
               121           122           123           124           125 
      1  -0.135082D+02  0.147965D+01  0.226827D+01 -0.233397D+02 -0.189874D+01
      2   0.997679D+01 -0.577282D+00 -0.394960D+01  0.218664D+02 -0.967323D+00
      3   0.353140D+01 -0.902371D+00  0.168133D+01  0.147324D+01  0.286606D+01
      4   0.615270D+01  0.177968D+01 -0.616438D+01 -0.870475D+01 -0.906878D+01
      5   0.431788D+01 -0.623867D+01 -0.714263D+01  0.434300D+02 -0.262898D+01
      6  -0.170179D+01 -0.122279D+00  0.322542D+01  0.781708D+01  0.418509D+01
               126           127           128           129           130 
      1   0.149080D+02  0.226428D+02 -0.677702D+01 -0.964808D+01 -0.444338D+01
      2  -0.267319D+02 -0.931912D+01  0.569122D-01  0.476804D+01 -0.217817D+01
      3   0.118239D+02 -0.133237D+02  0.672011D+01  0.488004D+01  0.662155D+01
      4   0.164968D+01 -0.237933D+02  0.178380D+02  0.102409D+02  0.161312D+02
      5  -0.568748D+02 -0.178637D+02  0.710196D+01  0.133489D+02  0.555042D+01
      6  -0.118819D+02  0.949095D+01 -0.474060D+01 -0.728150D+01 -0.472085D+01
               131           132           133           134           135 
      1   0.162604D+01  0.194560D+00 -0.121486D+02  0.815260D+00  0.361296D+01
      2   0.430977D+01  0.222296D+01  0.700512D+01  0.184355D+01 -0.433841D+01
      3  -0.593581D+01 -0.241752D+01  0.514350D+01 -0.265881D+01  0.725445D+00
      4  -0.140913D+02 -0.774296D+01  0.148437D+02 -0.120776D+02 -0.146140D+02
      5  -0.708501D+01 -0.679560D+01  0.191443D+02 -0.119266D+02 -0.158090D+02
      6   0.613805D+01  0.767216D+01 -0.116744D+02  0.110808D+02  0.963411D+01
               136           137           138           139           140 
      1   0.638001D+01 -0.506108D+01  0.321443D+01 -0.122357D+01 -0.520607D+01
      2  -0.241280D+01  0.988286D+00 -0.220470D+01 -0.297212D+01  0.978728D+01
      3  -0.396721D+01  0.407280D+01 -0.100973D+01  0.419568D+01 -0.458121D+01
      4  -0.138806D+02  0.130746D+02 -0.624345D+01  0.143782D+02 -0.168198D+02
      5   0.806763D+01 -0.509520D+01  0.104503D+02 -0.547665D+01  0.104749D+02
      6  -0.650507D+01  0.462794D+01 -0.590513D+01  0.724906D+01 -0.141811D+02
               141           142           143           144           145 
      1   0.312726D+01  0.428850D+01  0.550110D+01 -0.287477D+01  0.511942D+00
      2  -0.478012D+01 -0.242553D+01 -0.641920D+01 -0.310678D+01 -0.381918D+01
      3   0.165285D+01 -0.186297D+01  0.918102D+00  0.598155D+01  0.330724D+01
      4   0.109633D+02 -0.149398D+02  0.197757D+02 -0.183141D+02  0.515849D+00
      5  -0.882791D+01  0.186254D+02 -0.163459D+02  0.222271D+02  0.109195D+01
      6   0.137799D+02 -0.155458D+02  0.214015D+02 -0.230462D+02  0.951744D+00
               146           147           148           149           150 
      1  -0.802085D+00 -0.772512D+00  0.404060D+00 -0.472180D+01 -0.100298D+01
      2   0.163244D+01 -0.621565D+00  0.107836D+01  0.409009D+01  0.376322D+01
      3  -0.830351D+00  0.139408D+01 -0.148242D+01  0.631715D+00 -0.276025D+01
      4   0.240215D+01  0.174265D+01 -0.293805D+00  0.571766D+00 -0.462836D-01
      5  -0.402850D+00  0.586249D+01 -0.103605D+00  0.190705D+00  0.619719D-01
      6   0.104970D+01  0.138711D+01  0.311331D+00  0.275096D+01  0.225150D+01
               151           152           153           154           155 
      1  -0.919852D+00 -0.675840D+01 -0.199936D+02 -0.151622D+01 -0.333161D+01
      2  -0.146683D+01  0.451184D+01 -0.952526D+01  0.659999D+01  0.496620D+01
      3   0.238669D+01  0.224656D+01  0.295189D+02 -0.508377D+01 -0.163459D+01
      4   0.354155D+01  0.409684D+00  0.262368D+01  0.137632D+00  0.107491D+02
      5   0.371470D+01 -0.433584D+00 -0.666367D+00  0.226891D+00  0.925450D+00
      6   0.158726D+01  0.867583D+01  0.237684D+02 -0.531501D+00  0.477643D+00
               156           157           158           159           160 
      1  -0.424950D+00 -0.172020D+01 -0.494048D+02 -0.252473D+01 -0.201816D-01
      2  -0.125663D+00  0.170004D+01  0.826228D+02  0.280838D+01  0.112138D+00
      3   0.550613D+00  0.201661D-01 -0.332180D+02 -0.283649D+00 -0.919561D-01
      4  -0.205699D+00  0.760496D+01 -0.296684D+01 -0.384392D-01 -0.968283D+00
      5   0.164377D+01  0.341489D+00  0.759487D+00 -0.268243D+00  0.543991D+00
      6   0.829629D+00  0.371803D+00  0.716824D+01  0.781741D+01  0.708652D+00
               161           162           163           164           165 
      1   0.279557D+01 -0.639762D+01  0.205846D+02 -0.234942D+01 -0.597280D+01
      2  -0.540543D+01  0.596918D+01 -0.324185D+01  0.108380D+02  0.917032D+01
      3   0.260986D+01  0.428442D+00 -0.173427D+02 -0.848856D+01 -0.319751D+01
      4   0.876740D+00 -0.606385D-01 -0.534364D+01 -0.109125D+02  0.430697D+00
      5  -0.622081D+00  0.393991D-01 -0.396325D+01 -0.176305D+01 -0.161501D+02
      6   0.975372D+01  0.108549D+01  0.219513D+01 -0.120380D+02 -0.370439D+01
               166           167           168           169           170 
      1  -0.263159D+01 -0.729662D+00 -0.643764D+00 -0.757905D+01  0.816732D+00
      2   0.161842D+02 -0.746844D+01  0.163405D+02  0.111586D+02  0.120376D+02
      3  -0.135526D+02  0.819810D+01 -0.156967D+02 -0.357958D+01 -0.128543D+02
      4  -0.185598D+02  0.245968D+02 -0.138708D+02  0.386572D+00 -0.767102D+01
      5  -0.382582D+01 -0.207152D+02 -0.149647D+02 -0.231279D+02 -0.115201D+02
      6  -0.166447D+02  0.179309D+02 -0.104195D+02 -0.507059D+01 -0.655503D+01
               171           172           173           174           175 
      1  -0.110076D+02 -0.602425D+01 -0.109799D+02 -0.247994D+02 -0.164068D+02
      2   0.998970D+01 -0.100256D+01  0.102994D+02  0.113214D+02  0.167604D+02
      3   0.101788D+01  0.702680D+01  0.680502D+00  0.134781D+02 -0.353677D+00
      4  -0.866327D+01 -0.966895D+01 -0.284474D+02 -0.697613D+01 -0.461550D+02
      5  -0.957047D+01 -0.271746D+02 -0.703904D+01 -0.998237D+01 -0.113755D+02
      6  -0.136265D+02  0.766798D-01  0.238626D+01 -0.415518D+00  0.357155D+01
               176           177           178           179           180 
      1  -0.267507D+02 -0.108144D+02 -0.321386D+02 -0.109188D+02 -0.869203D+01
      2   0.393437D+01  0.242798D+01  0.117663D+02  0.177605D+01  0.144054D+02
      3   0.228163D+02  0.838637D+01  0.203723D+02  0.914272D+01 -0.571336D+01
      4   0.369880D+02 -0.299619D+01 -0.114146D+02 -0.458666D+01 -0.195012D+02
      5  -0.127147D+01 -0.192626D+02 -0.170790D+02 -0.188894D+02  0.300823D+02
      6  -0.470274D+01 -0.122076D+01 -0.155647D+01  0.138548D+01  0.160117D+01
               181           182           183           184           185 
      1  -0.137628D+02 -0.237741D+01  0.109600D+02 -0.681338D+00 -0.338846D+01
      2   0.399665D+01 -0.145994D+00  0.137008D+01 -0.121022D+01  0.279127D+01
      3   0.976615D+01  0.252340D+01 -0.123300D+02  0.189156D+01  0.597188D+00
      4   0.792280D+01  0.147906D+01 -0.920926D+00  0.378894D+01 -0.139278D+01
      5  -0.126647D+02  0.168974D+00  0.288482D+01 -0.134785D+00  0.783080D+00
      6  -0.205822D+01 -0.365333D+01  0.516569D+01 -0.122468D+01 -0.280869D+01
               186           187           188           189           190 
      1   0.165091D+01  0.744382D+01  0.152587D+01 -0.689097D+01  0.800806D+01
      2  -0.238298D+01  0.534900D+00 -0.118158D+01 -0.317528D+01 -0.128556D+02
      3   0.732075D+00 -0.797872D+01 -0.344292D+00  0.100662D+02  0.484749D+01
      4   0.111275D+01 -0.111417D+01 -0.671789D+00  0.270645D+01  0.443243D+01
      5   0.240234D+01  0.676461D+01  0.166268D+01 -0.316194D+01  0.203128D+02
      6   0.370964D+01  0.323384D+01  0.301556D+01 -0.156095D+01  0.379404D+01
               191           192           193           194           195 
      1   0.341771D+01  0.335896D+01  0.494783D+01 -0.318831D+00 -0.307274D+01
      2  -0.557472D+01 -0.128995D+02 -0.955654D+01 -0.301627D+01 -0.116852D+02
      3   0.215701D+01  0.954055D+01  0.460871D+01  0.333511D+01  0.147579D+02
      4   0.660389D+01  0.268490D+01  0.860672D+01  0.572799D+01  0.828280D+01
      5   0.598884D+01  0.221096D+02  0.133333D+02  0.115223D+02  0.179365D+02
      6   0.619225D+01  0.315390D+01  0.812223D+01  0.797390D+01  0.105973D+02
               196           197           198           199           200 
      1   0.253471D+01 -0.177159D+01 -0.697000D+01  0.423744D+01 -0.354081D+01
      2  -0.129192D+02 -0.653891D+01 -0.213954D+02 -0.868384D-01 -0.307445D+01
      3   0.103845D+02  0.831050D+01  0.283654D+02 -0.415061D+01  0.661526D+01
      4   0.271540D+01  0.558926D+01  0.610079D+01 -0.123740D+02  0.155904D+02
      5   0.209233D+02  0.857037D+01  0.291601D+02  0.888836D+01 -0.774338D+01
      6   0.412708D+01  0.790118D+01  0.819206D+01 -0.709002D+01  0.945937D+01
               201           202           203           204           205 
      1   0.314937D+00 -0.227280D+01 -0.116217D+02  0.711234D+01 -0.676673D+00
      2  -0.205487D+01 -0.604769D+01  0.247037D+02 -0.526312D+01 -0.194194D+01
      3   0.173993D+01  0.832049D+01 -0.130820D+02 -0.184922D+01  0.261862D+01
      4  -0.521644D+01  0.193392D+02 -0.333172D+02  0.117343D+02 -0.175905D+01
      5   0.919493D+01 -0.943220D+01  0.154290D+02 -0.928365D+01  0.655445D+01
      6  -0.440268D+01  0.124444D+02 -0.296119D+02  0.166702D+02 -0.345232D+01
               206           207           208           209           210 
      1   0.399611D+01 -0.246274D+01  0.408954D+01  0.405043D+01 -0.644362D+01
      2  -0.746117D+00  0.270698D+00 -0.489141D+01 -0.262079D+01  0.506650D+01
      3  -0.324999D+01  0.219204D+01  0.801866D+00 -0.142965D+01  0.137712D+01
      4   0.406715D+01 -0.500546D+01  0.403723D+01  0.420819D+01 -0.110866D+01
      5  -0.498240D+01  0.597460D+01 -0.775908D+01 -0.171124D+01  0.113703D+02
      6   0.104032D+02 -0.606101D+01 -0.978086D+00 -0.464145D+00  0.211635D+00
               211           212           213           214           215 
      1   0.774739D+01  0.211658D+01  0.567526D+00 -0.128052D+02  0.146254D+01
      2  -0.562248D+01 -0.118546D+01  0.303130D+01  0.120774D+02  0.234314D+01
      3  -0.212491D+01 -0.931118D+00 -0.359882D+01  0.727821D+00 -0.380568D+01
      4   0.859514D+01  0.260694D+01 -0.747371D+01 -0.175636D+01 -0.872522D+01
      5  -0.476925D+01 -0.724425D+01  0.131445D+02  0.235033D+02  0.102722D+02
      6  -0.185876D+01 -0.220670D+01  0.502913D+01  0.682627D+00  0.487575D+01
               216           217           218           219           220 
      1   0.129183D+01  0.235158D+02 -0.136627D+02  0.122818D+01 -0.249836D+02
      2  -0.190607D+02 -0.693570D+01  0.302209D+01 -0.534548D+00  0.328654D+01
      3   0.177688D+02 -0.165802D+02  0.106406D+02 -0.693633D+00  0.216971D+02
      4   0.105208D+02 -0.198270D+02  0.227246D+02  0.159243D+01  0.406570D+02
      5  -0.482478D+02 -0.576360D+00  0.253336D+01  0.532490D+01  0.619346D+01
      6  -0.180885D+01  0.203511D+01 -0.217306D+01 -0.104800D+01 -0.428817D+01
               221           222           223           224           225 
      1   0.132830D+02  0.234855D+01  0.515355D+01  0.711733D+00  0.354148D+01
      2   0.111865D+02 -0.165104D+01 -0.154439D+01 -0.803040D+00 -0.155641D+01
      3  -0.244694D+02 -0.697517D+00 -0.360916D+01  0.913069D-01 -0.198507D+01
      4  -0.556203D+02 -0.140655D+01  0.710966D+00  0.918104D+00 -0.511668D+01
      5  -0.271888D+01 -0.812259D+01  0.940738D+01 -0.551449D+01 -0.285456D+01
      6   0.700042D+01  0.581041D+01 -0.294239D+01  0.524843D+01  0.291776D+00
               226           227           228           229           230 
      1   0.582911D+02  0.158683D+02  0.165034D+02  0.315156D+02  0.155099D+02
      2  -0.282948D+02 -0.765249D+01 -0.809207D+01 -0.148993D+02 -0.361530D+01
      3  -0.299963D+02 -0.821578D+01 -0.841136D+01 -0.166163D+02 -0.118946D+02
      4   0.185187D+02  0.161068D+02  0.638257D+01  0.264438D+02  0.142424D+02
      5   0.172572D+02  0.576160D+01  0.138529D+02  0.924261D+01  0.738631D+01
      6   0.764349D+00 -0.228374D+00 -0.270615D-01  0.711481D+00  0.177107D+01
               231           232           233           234 
      1   0.738838D+01  0.338715D+02  0.725805D+01  0.131717D+02
      2  -0.278760D+01 -0.170823D+02 -0.297899D+01 -0.975854D+01
      3  -0.460077D+01 -0.167892D+02 -0.427906D+01 -0.341316D+01
      4   0.855238D+01  0.108960D+02  0.108509D+02  0.951424D+01
      5   0.118919D+02  0.208511D+02  0.914295D+01  0.150601D+02
      6   0.228953D+01  0.165403D+01  0.167197D+01  0.156292D+01
 Leave Link  716 at Thu Jul  8 20:41:29 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146894D+03 -0.522614D+01 -0.263224D+01
      2  -0.522614D+01  0.113871D+03  0.133811D+01
      3  -0.263224D+01  0.133811D+01  0.102526D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.448883D+01  0.657333D+00  0.143790D+01
      2   0.259059D+02 -0.550691D+01  0.867434D+01
      3  -0.183256D+02  0.952607D+01  0.805186D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.398264D+02 -0.113900D+02  0.102170D+02
      2   0.507130D+01  0.964717D+01 -0.188508D+02
      3   0.347551D+02  0.174281D+01  0.863373D+01
      4  -0.335198D+02 -0.201975D+02 -0.907434D+01
      5   0.183015D+02 -0.115028D+02  0.313584D+02
      6   0.374445D+01 -0.269944D+01 -0.739258D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.224075D+02 -0.447703D+00 -0.141276D+01 -0.275355D+01 -0.177879D+01
      2  -0.447703D+00  0.536819D-01 -0.307142D+00 -0.177879D+01 -0.621310D+01
      3  -0.141276D+01 -0.307142D+00 -0.438770D+01  0.299083D+00 -0.122521D+01
                 6             7             8             9            10 
      1   0.299083D+00 -0.585846D+01 -0.233150D+01 -0.565377D+01 -0.281736D+01
      2  -0.122521D+01 -0.233150D+01  0.321733D+00  0.150024D+01  0.225425D+01
      3   0.907362D+00 -0.565377D+01  0.150024D+01  0.301661D+01 -0.165988D+00
                11            12            13            14            15 
      1   0.225425D+01 -0.165988D+00 -0.157901D+00 -0.224499D+01  0.951345D+00
      2  -0.124281D+01  0.290598D+01 -0.224499D+01  0.586410D+01  0.151528D+01
      3   0.290598D+01 -0.191059D+01  0.951345D+00  0.151528D+01  0.434923D+00
                16            17            18            19            20 
      1  -0.121608D+01  0.448338D+01 -0.110883D+01  0.259114D+02 -0.431353D+01
      2   0.448338D+01  0.221850D+01  0.273653D-01 -0.431353D+01  0.482301D+01
      3  -0.110883D+01  0.273653D-01  0.138292D+01 -0.225621D+01 -0.101363D+00
                21            22            23            24            25 
      1  -0.225621D+01 -0.657537D+01  0.462783D+01  0.728851D+00 -0.616773D+01
      2  -0.101363D+00  0.462783D+01  0.407237D+01  0.342336D+00  0.638812D-01
      3   0.254611D+01  0.728851D+00  0.342336D+00 -0.287954D+01  0.388104D+01
                26            27            28            29            30 
      1   0.638812D-01  0.388104D+01 -0.220530D+02  0.508639D+01  0.266386D+01
      2  -0.661787D+00 -0.303129D+01  0.508639D+01 -0.384992D+01 -0.825797D+00
      3  -0.303129D+01 -0.444972D+01  0.266386D+01 -0.825797D+00 -0.395116D+01
                31            32            33            34            35 
      1   0.101010D+02 -0.623011D+01 -0.634727D+00  0.688942D+01 -0.143508D+01
      2  -0.623011D+01  0.102155D+01  0.493465D-01 -0.143508D+01  0.107442D+01
      3  -0.634727D+00  0.493465D-01  0.258697D+01 -0.465190D+01  0.960613D+00
                36            37            38            39            40 
      1  -0.465190D+01  0.119053D+02 -0.344174D+01  0.212921D+00 -0.364918D+01
      2   0.960613D+00 -0.344174D+01 -0.174287D+00 -0.422060D+00  0.150993D+01
      3   0.255776D+01  0.212921D+00 -0.422060D+00  0.293492D+01 -0.480026D+00
                41            42            43            44            45 
      1   0.150993D+01 -0.480026D+00  0.526889D-01 -0.149761D+00  0.654688D+01
      2   0.648745D+01  0.136385D+01 -0.149761D+00  0.169030D+01 -0.136080D+01
      3   0.136385D+01 -0.159677D+01  0.654688D+01 -0.136080D+01 -0.520144D+01
                46            47            48            49            50 
      1  -0.802815D+00 -0.348969D+01 -0.217180D+01 -0.526661D+01  0.499316D+01
      2  -0.348969D+01  0.190007D+01  0.540731D-01  0.499316D+01 -0.680067D+00
      3  -0.217180D+01  0.540731D-01  0.274414D+01 -0.356055D+00  0.869984D+00
                51            52            53            54            55 
      1  -0.356055D+00 -0.222877D+01 -0.787526D+00  0.478214D+01  0.235619D+01
      2   0.869984D+00 -0.787526D+00  0.226083D+01 -0.385664D+01  0.155919D+01
      3  -0.260998D+01  0.478214D+01 -0.385664D+01  0.226217D+01  0.126755D+01
                56            57            58            59            60 
      1   0.155919D+01  0.126755D+01  0.201249D+01 -0.861337D+00 -0.145557D+00
      2  -0.432300D+00  0.105024D+00 -0.861337D+00 -0.821615D+01 -0.775870D-01
      3   0.105024D+00 -0.100330D+01 -0.145557D+00 -0.775870D-01  0.140538D+01
                61            62            63            64            65 
      1   0.183438D+01  0.174921D+00 -0.116328D+01  0.130764D+02 -0.127971D+01
      2   0.174921D+00  0.738950D+00  0.584129D+00 -0.127971D+01  0.235150D+01
      3  -0.116328D+01  0.584129D+00 -0.551795D+01  0.461356D+01 -0.700062D+00
                66            67            68            69            70 
      1   0.461356D+01  0.189458D+01  0.598314D+01  0.661554D+00  0.126196D+02
      2  -0.700062D+00  0.598314D+01 -0.434596D+01  0.118411D+01 -0.193373D+00
      3   0.326109D+01  0.661554D+00  0.118411D+01  0.916197D+00  0.437792D+01
                71            72            73            74            75 
      1  -0.193373D+00  0.437792D+01  0.419495D+01 -0.111737D+01 -0.196618D+01
      2   0.679950D+00  0.108857D+01 -0.111737D+01  0.389829D+00  0.534128D+00
      3   0.108857D+01 -0.101160D+01 -0.196618D+01  0.534128D+00  0.250081D+01
                76            77            78            79            80 
      1  -0.287136D+01  0.322127D+00  0.333098D+00 -0.224075D+01  0.657099D+00
      2   0.322127D+00 -0.770193D+00 -0.150470D+01  0.657099D+00 -0.183653D+01
      3   0.333098D+00 -0.150470D+01 -0.239255D+01  0.306368D+01 -0.272715D+01
                81            82            83            84            85 
      1   0.306368D+01  0.301626D+01  0.155920D+01 -0.131845D+01  0.113429D+01
      2  -0.272715D+01  0.155920D+01  0.181942D+01 -0.150887D+01  0.158166D+01
      3  -0.844139D+01 -0.131845D+01 -0.150887D+01  0.180411D+01 -0.129450D+01
                86            87            88            89            90 
      1   0.158166D+01 -0.129450D+01 -0.195638D+01 -0.181222D+01  0.156309D+01
      2   0.433801D+01 -0.240979D+01 -0.181222D+01 -0.267711D+01  0.218870D+01
      3  -0.240979D+01  0.201697D+01  0.156309D+01  0.218870D+01 -0.289738D+01
                91            92            93            94            95 
      1   0.978742D-01 -0.151765D+01 -0.607187D+00 -0.157610D+01 -0.133453D+01
      2  -0.151765D+01 -0.102138D+01  0.117765D+00 -0.133453D+01 -0.105449D+02
      3  -0.607187D+00  0.117765D+00  0.217366D+00 -0.866477D-01 -0.177890D+01
                96            97            98            99           100 
      1  -0.866477D-01 -0.201224D+01  0.249475D+00 -0.620813D+00 -0.567156D+00
      2  -0.177890D+01  0.249475D+00 -0.866483D+00 -0.503087D+00 -0.821679D+00
      3  -0.112206D+01 -0.620813D+00 -0.503087D+00 -0.101709D+00 -0.413316D+00
               101           102           103           104           105 
      1  -0.821679D+00 -0.413316D+00 -0.259076D+01 -0.324301D+01 -0.851907D-01
      2  -0.441985D+00 -0.434288D-01 -0.324301D+01 -0.851183D+01 -0.507579D+00
      3  -0.434288D-01 -0.220186D+00 -0.851907D-01 -0.507579D+00 -0.101917D+01
               106           107           108           109           110 
      1  -0.872924D+00 -0.377497D+00 -0.829956D+00 -0.112637D+02  0.151864D+01
      2  -0.377497D+00 -0.982693D+00 -0.954017D+00  0.151864D+01 -0.108615D+01
      3  -0.829956D+00 -0.954017D+00  0.114830D-01 -0.235366D+01  0.641235D+00
               111           112           113           114           115 
      1  -0.235366D+01  0.498545D+01 -0.167157D+01  0.656659D+00 -0.516118D+01
      2   0.641235D+00 -0.167157D+01  0.834149D+00 -0.917038D+00  0.603826D+00
      3  -0.178655D+01  0.656659D+00 -0.917038D+00  0.100882D+01 -0.329611D+01
               116           117           118           119           120 
      1   0.603826D+00 -0.329611D+01 -0.461041D+01  0.279432D+00  0.206065D+01
      2  -0.114541D+01  0.822662D+00  0.279432D+00 -0.167439D+00  0.485620D-01
      3   0.822662D+00 -0.138886D+01  0.206065D+01  0.485620D-01 -0.196271D+01
               121           122           123           124           125 
      1   0.224418D+01 -0.897297D+00 -0.603106D+00  0.555675D+01  0.542048D+00
      2  -0.897297D+00 -0.207791D+00  0.935371D+00  0.542048D+00  0.102470D+01
      3  -0.603106D+00  0.935371D+00  0.100849D+01 -0.512800D+01  0.386657D+00
               126           127           128           129           130 
      1  -0.512800D+01 -0.560467D+01  0.261186D+01  0.264108D+01  0.234270D+01
      2   0.386657D+00  0.261186D+01 -0.228953D+01 -0.106194D+01 -0.219232D+01
      3   0.766302D+01  0.264108D+01 -0.106194D+01 -0.184350D+01 -0.873609D+00
               131           132           133           134           135 
      1  -0.219232D+01 -0.873609D+00  0.397558D+01 -0.146135D+01 -0.306082D+01
      2   0.191887D+01  0.121376D+01 -0.146135D+01  0.171573D+01  0.222329D+01
      3   0.121376D+01  0.125774D+01 -0.306082D+01  0.222329D+01  0.266717D+01
               136           137           138           139           140 
      1  -0.237017D+01  0.210770D+01 -0.119893D+01  0.196542D+01 -0.224087D+01
      2   0.210770D+01 -0.164849D+01  0.722632D+00 -0.224087D+01  0.368518D+01
      3  -0.119893D+01  0.722632D+00 -0.129948D+01  0.107804D+01 -0.228102D+01
               141           142           143           144           145 
      1   0.107804D+01 -0.275228D+01  0.219196D+01 -0.319850D+01  0.317343D-01
      2  -0.228102D+01  0.219196D+01 -0.439119D+01  0.333812D+01 -0.184344D+00
      3   0.189487D+01 -0.319850D+01  0.333812D+01 -0.498697D+01  0.702024D+00
               146           147           148           149           150 
      1  -0.184344D+00  0.702024D+00 -0.735231D+00  0.439814D+00 -0.220893D+00
      2   0.240494D+00  0.350942D-02  0.439814D+00  0.509655D+00  0.936748D+00
      3   0.350942D-02  0.540570D+00 -0.220893D+00  0.936748D+00 -0.610162D+00
               151           152           153           154           155 
      1   0.147049D+01 -0.338379D+00  0.733728D+00  0.229756D+00  0.124942D+01
      2  -0.338379D+00  0.134073D+01  0.103327D+01  0.124942D+01  0.621961D+00
      3   0.733728D+00  0.103327D+01  0.732875D+01 -0.143251D+00  0.665909D-01
               156           157           158           159           160 
      1  -0.143251D+00  0.109754D+01  0.390557D+00  0.666819D-01 -0.526716D+00
      2   0.665909D-01  0.390557D+00  0.127441D+02  0.502868D+00  0.540886D-01
      3   0.199640D+00  0.666819D-01  0.502868D+00  0.753416D+00  0.162290D+00
               161           162           163           164           165 
      1   0.540886D-01  0.162290D+00  0.407373D+01  0.295075D+00 -0.339937D+01
      2  -0.993040D+00  0.119626D+01  0.295075D+00 -0.339518D+01 -0.562339D+00
      3   0.119626D+01  0.382114D+00 -0.339937D+01 -0.562339D+00 -0.203901D+01
               166           167           168           169           170 
      1  -0.189692D+00 -0.473531D+01 -0.922518D+00 -0.436382D+01 -0.715988D+00
      2  -0.473531D+01  0.566536D+01 -0.338085D+01 -0.715988D+00 -0.185706D+01
      3  -0.922518D+00 -0.338085D+01 -0.336998D+01 -0.283531D+01 -0.273347D+01
               171           172           173           174           175 
      1  -0.283531D+01 -0.273802D+01 -0.767732D+00 -0.358741D+01 -0.151081D+01
      2  -0.273347D+01 -0.767732D+00 -0.378407D+01 -0.967077D+00 -0.626181D+01
      3  -0.452900D+00 -0.358741D+01 -0.967077D+00 -0.120329D+01 -0.142788D+01
               176           177           178           179           180 
      1  -0.626181D+01 -0.142788D+01 -0.446578D+01 -0.142770D+01 -0.256227D+01
      2   0.527227D+01 -0.186182D+00 -0.142770D+01 -0.703316D+00 -0.291892D+01
      3  -0.186182D+00 -0.292114D+01 -0.256227D+01 -0.291892D+01  0.479187D+01
               181           182           183           184           185 
      1  -0.596454D+01 -0.328781D+00  0.133949D+01 -0.386647D+00 -0.252676D+00
      2  -0.328781D+00 -0.697971D+00  0.610799D+00 -0.252676D+00 -0.760358D+00
      3   0.133949D+01  0.610799D+00 -0.233467D+01  0.369820D+00  0.673632D+00
               186           187           188           189           190 
      1   0.369820D+00  0.116863D+01  0.380097D+00 -0.127347D+01  0.296121D+01
      2   0.673632D+00  0.380097D+00  0.564579D+00  0.100807D+00  0.858305D+00
      3   0.180642D+00 -0.127347D+01  0.100807D+00  0.150136D+01  0.284889D+01
               191           192           193           194           195 
      1   0.858305D+00  0.284889D+01  0.204731D+01  0.175985D+01  0.185885D+01
      2   0.132083D+01  0.672400D+00  0.175985D+01  0.141164D+01  0.201268D+01
      3   0.672400D+00  0.314493D+01  0.185885D+01  0.201268D+01  0.368334D+01
               196           197           198           199           200 
      1   0.217819D+01  0.854589D+00  0.301870D+01  0.174507D+01 -0.198753D+01
      2   0.854589D+00  0.130511D+01  0.170874D+01 -0.198753D+01  0.241199D+01
      3   0.301870D+01  0.170874D+01  0.568624D+01  0.132995D+01 -0.827229D+00
               201           202           203           204           205 
      1   0.132995D+01 -0.239241D+01  0.338476D+01 -0.107841D+01  0.572170D+00
      2  -0.827229D+00  0.338476D+01 -0.806693D+01  0.299765D+01 -0.299268D+00
      3   0.133092D+01 -0.107841D+01  0.299765D+01 -0.204089D+01  0.958150D+00
               206           207           208           209           210 
      1  -0.299268D+00  0.958150D+00  0.392588D+00  0.598487D+00 -0.102417D+01
      2   0.999159D+00 -0.111380D+01  0.598487D+00  0.433223D+00 -0.654181D-01
      3  -0.111380D+01  0.100894D+01 -0.102417D+01 -0.654181D-01  0.905957D+00
               211           212           213           214           215 
      1   0.126151D+01  0.103859D+01 -0.534972D+00 -0.259856D+01 -0.238304D+00
      2   0.103859D+01  0.413710D+00 -0.115290D+01 -0.238304D+00 -0.123204D+01
      3  -0.534972D+00 -0.115290D+01  0.194948D+01  0.273191D+01  0.156399D+01
               216           217           218           219           220 
      1   0.273191D+01  0.359563D+01 -0.228695D+01  0.167673D+00 -0.506220D+01
      2   0.156399D+01 -0.228695D+01  0.225635D+01  0.162219D+00  0.488349D+01
      3  -0.723535D+01  0.167673D+00  0.162219D+00  0.398850D+00  0.585379D+00
               221           222           223           224           225 
      1   0.488349D+01  0.585379D+00  0.865922D+00  0.961555D-01  0.112784D+01
      2  -0.754473D+01 -0.217812D+00  0.961555D-01  0.112694D+00 -0.733505D+00
      3  -0.217812D+00 -0.966226D+00  0.112784D+01 -0.733505D+00 -0.374602D+00
               226           227           228           229           230 
      1   0.761134D+01  0.200646D+01  0.217104D+01  0.463137D+01  0.302972D+01
      2   0.200646D+01  0.160913D+01  0.747808D+00  0.302972D+01  0.162365D+01
      3   0.217104D+01  0.747808D+00  0.141273D+01  0.115473D+01  0.104195D+01
               231           232           233           234 
      1   0.115473D+01  0.523783D+01  0.121644D+01  0.243565D+01
      2   0.104195D+01  0.121644D+01  0.129926D+01  0.120926D+01
      3   0.152388D+01  0.243565D+01  0.120926D+01  0.179946D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.210178D+01 -0.109105D+01 -0.227784D+01 -0.106389D+01  0.761043D+01
      2  -0.312841D+02  0.663580D+00 -0.372978D+01 -0.365640D+01 -0.425051D+01
      3   0.307198D+02 -0.489835D+01  0.164044D+01  0.181634D+02  0.873379D+01
                 6             7             8             9            10 
      1   0.678992D+00  0.121960D+01  0.431971D+01  0.203538D+01  0.120697D+01
      2  -0.455952D+00 -0.225346D+02 -0.168683D+01 -0.560607D+01 -0.322342D+01
      3   0.291433D+01  0.115513D+02 -0.847218D+00  0.572439D+01 -0.701658D+01
                11            12            13            14            15 
      1  -0.332700D+01 -0.582575D+00 -0.544444D+00 -0.808881D+01 -0.465145D+01
      2   0.616371D+01  0.109438D+01 -0.898122D-01  0.143044D+01  0.203153D+01
      3  -0.280941D+01 -0.592312D+01  0.110578D+02 -0.140185D+02  0.199852D+00
                16            17            18            19            20 
      1  -0.183855D+01  0.332866D+01 -0.250373D+01  0.136768D+01  0.311512D+00
      2  -0.458914D+01  0.658780D+01  0.173731D+01  0.255697D+02 -0.330354D+01
      3  -0.129558D+02  0.102110D+01 -0.286387D+01 -0.467311D+02  0.128164D+02
                21            22            23            24            25 
      1   0.463183D+01  0.203486D+01 -0.431709D+01 -0.393402D+01  0.876867D+01
      2  -0.457041D+01 -0.787615D+01  0.474031D+01  0.313018D+01 -0.242265D+02
      3   0.270303D+01  0.239823D+02 -0.648642D+01 -0.323367D+01  0.113475D+02
                26            27            28            29            30 
      1   0.958521D+00 -0.373791D+01  0.150206D+00  0.800396D+00 -0.372817D+01
      2   0.312757D+01  0.854448D+01 -0.250160D+02  0.363108D+01  0.839650D+01
      3  -0.430933D+01 -0.992397D+01  0.420631D+02 -0.176582D+02 -0.558494D+01
                31            32            33            34            35 
      1   0.194594D+01  0.602034D+00  0.192610D+01 -0.626646D+01  0.101786D+02
      2   0.117663D+02 -0.328849D+01 -0.418809D+01  0.322125D+01 -0.316010D+01
      3  -0.180892D+02  0.731681D+01 -0.140589D+01 -0.148155D+02  0.199158D+01
                36            37            38            39            40 
      1   0.382953D+01 -0.539192D+00  0.276738D+00  0.144999D+01  0.100368D+01
      2  -0.636253D+01 -0.319949D+01  0.238175D+01 -0.962927D+01  0.347475D+01
      3   0.769581D+01 -0.246644D+02  0.172625D+01 -0.165348D+01  0.142669D+02
                41            42            43            44            45 
      1   0.347235D+01 -0.316466D+01  0.635042D+01  0.511201D+00 -0.550689D+01
      2  -0.579403D+01  0.576708D+01 -0.339173D+02  0.614147D+01  0.216482D+02
      3   0.236852D+02  0.573004D+01 -0.299719D+01  0.703141D+01 -0.120441D+02
                46            47            48            49            50 
      1   0.353749D+01  0.318669D+00 -0.487035D+01  0.194053D+01 -0.205271D+01
      2   0.698202D+01 -0.157987D+01 -0.439839D+01 -0.164362D+01 -0.538328D+00
      3  -0.101461D+02 -0.659770D+01 -0.533949D+01  0.101177D+02 -0.384737D+01
                51            52            53            54            55 
      1   0.276817D+01 -0.123007D+02  0.125745D+02 -0.258446D+01 -0.225201D+01
      2   0.535760D+01 -0.148997D+02  0.854112D+01 -0.310733D+01 -0.344736D+01
      3   0.287589D+01 -0.723513D+01  0.780082D+01 -0.313852D+01  0.100725D+02
                56            57            58            59            60 
      1  -0.831703D+00  0.266197D+01  0.351159D+00 -0.757427D+01 -0.542343D+01
      2  -0.421564D+00  0.169809D+01 -0.253318D+01  0.123261D+01 -0.785504D+00
      3   0.578392D+01  0.483190D+01  0.122318D+02 -0.600356D+01  0.389261D+00
                61            62            63            64            65 
      1   0.307396D+01  0.281011D+01  0.135471D+02  0.457079D-01  0.277544D+01
      2  -0.202021D+01 -0.120944D+01  0.319627D+01  0.272865D+02 -0.210232D+01
      3   0.499389D+01 -0.524963D-01 -0.113769D+01 -0.706775D+01 -0.113996D+02
                66            67            68            69            70 
      1   0.222355D+01 -0.469672D+01  0.240809D+01 -0.418031D+01 -0.190162D+01
      2   0.127098D+02  0.631320D+01  0.404558D+01  0.359471D+01  0.932941D+01
      3  -0.476484D+00 -0.144407D+02  0.939406D+01 -0.280763D+01 -0.996750D+01
                71            72            73            74            75 
      1   0.552540D+01  0.850304D-01 -0.136957D+01 -0.427385D+00  0.134653D+01
      2   0.448337D+01 -0.894581D+00  0.538177D+01 -0.108386D+01  0.875885D+00
      3  -0.222622D+01 -0.625663D+01 -0.401045D+01 -0.112398D+01  0.103696D+01
                76            77            78            79            80 
      1   0.341904D+00  0.161601D+00 -0.811934D+00  0.184143D+01  0.364714D+01
      2  -0.373110D+01 -0.865127D+00 -0.146211D+01 -0.305246D+01 -0.957897D+00
      3   0.706734D+01 -0.491045D+00  0.375705D+00  0.127886D+01  0.177736D+01
                81            82            83            84            85 
      1  -0.230499D+01  0.765385D+00  0.146308D-01 -0.186344D+01  0.133674D+00
      2  -0.242122D+01  0.229084D+01 -0.734672D+00  0.223126D+01 -0.356641D+00
      3  -0.747146D+00  0.189451D+01 -0.211284D+01 -0.109104D+00  0.315488D+01
                86            87            88            89            90 
      1  -0.127434D+01 -0.280151D+01 -0.972797D+00  0.619017D+00  0.288276D+01
      2  -0.101436D+01  0.123941D+01 -0.212116D+01  0.116501D+00 -0.210722D+01
      3  -0.401536D+01  0.135995D+01 -0.565684D+00  0.181382D+01  0.139774D-01
                91            92            93            94            95 
      1  -0.749698D+00  0.121511D+01 -0.454462D+00  0.109523D+01  0.634329D+01
      2   0.219358D+00 -0.129939D+01 -0.465709D-01 -0.153545D+01 -0.663237D+00
      3  -0.154904D+00  0.157158D-01  0.934778D+00  0.442965D+01 -0.768442D+01
                96            97            98            99           100 
      1  -0.425152D+01 -0.406744D+01  0.122744D+01  0.102426D+01 -0.875499D+00
      2   0.150730D+01 -0.230561D+01  0.334023D-02 -0.827821D+00  0.157996D+01
      3  -0.961710D+00  0.572256D+01 -0.970460D+00  0.444113D+00 -0.341283D+01
               101           102           103           104           105 
      1  -0.452333D+00 -0.168036D+00 -0.581367D+00 -0.232578D+01 -0.405599D+01
      2   0.350666D+00  0.150840D+01  0.238745D+00  0.184779D+01  0.416480D+01
      3  -0.225003D+01  0.487666D+00 -0.488488D+01 -0.280181D+02 -0.206751D+01
               106           107           108           109           110 
      1  -0.165592D+00 -0.220350D+00 -0.475535D+00 -0.555064D+00  0.890243D+00
      2   0.170393D+01  0.267029D+01 -0.103884D+00  0.881260D+01 -0.224996D+01
      3   0.825457D-02 -0.323626D+01 -0.204971D+01  0.159200D+02 -0.814549D+01
               111           112           113           114           115 
      1  -0.106072D+01  0.258679D+00 -0.106545D+01 -0.162499D+00 -0.156552D+01
      2   0.932189D+01 -0.334648D+01  0.332066D+01 -0.427661D+01  0.116825D+02
      3   0.459783D+01 -0.878006D+01  0.489856D+01 -0.396873D+01  0.652269D+01
               116           117           118           119           120 
      1   0.166824D+01 -0.818847D+00  0.226400D+01 -0.740737D+00 -0.188994D+01
      2  -0.331496D+01  0.550689D+01 -0.675889D+01 -0.554694D+00  0.823332D+01
      3  -0.591644D+01  0.593943D+01  0.649646D+01 -0.244081D+01 -0.231313D+01
               121           122           123           124           125 
      1  -0.998101D+00  0.102977D+01  0.607223D+00 -0.356835D+01  0.336441D+01
      2   0.189081D+01 -0.305022D+01 -0.387609D+01  0.169631D+02 -0.157200D+01
      3  -0.316654D+01  0.343542D-01  0.337296D+01 -0.395268D+01  0.466708D+01
               126           127           128           129           130 
      1   0.739466D+01 -0.472866D+01  0.115694D+01  0.398463D+01  0.999026D+00
      2  -0.291498D+02 -0.514137D+01  0.298290D+01  0.589332D+01  0.187074D+01
      3   0.665637D+01 -0.407380D+01 -0.438607D+01  0.170077D+01  0.665606D+00
               131           132           133           134           135 
      1  -0.149230D+01 -0.305424D+01  0.521006D+01 -0.167150D+01 -0.467752D+01
      2  -0.274365D+01 -0.350866D+01  0.432089D+01 -0.492840D+01 -0.666979D+01
      3   0.612913D+00  0.936494D+00  0.500950D+01  0.217774D+01  0.188098D+00
               136           137           138           139           140 
      1   0.194186D+01 -0.109761D+01  0.240440D+01 -0.110350D+01  0.223963D+01
      2   0.150120D+01 -0.766563D+00  0.390337D+01 -0.469914D+00  0.349047D+01
      3   0.124656D+01 -0.159108D+01  0.176742D+00 -0.599332D+00  0.680084D+01
               141           142           143           144           145 
      1  -0.482871D+01  0.614804D+01 -0.431756D+01  0.857874D+01 -0.257787D+01
      2  -0.414226D+01  0.414490D+01 -0.618054D+01  0.969001D+01 -0.629336D+00
      3  -0.328983D+01  0.440080D+00 -0.918517D+01  0.327399D+01 -0.128294D+00
               146           147           148           149           150 
      1   0.906423D+00 -0.180848D+01  0.114333D+01 -0.172911D+01  0.176322D+01
      2   0.420687D+00 -0.197976D+00  0.176462D+01 -0.148599D+01  0.959178D+00
      3  -0.273168D+01  0.182067D+01 -0.182297D+01  0.830129D+00  0.149676D+00
               151           152           153           154           155 
      1  -0.227147D+01  0.206997D+01 -0.165077D+02  0.101144D+01  0.442932D+00
      2  -0.423698D+01  0.933908D-01 -0.383923D+01  0.612950D+00 -0.621183D+00
      3   0.434546D+01 -0.597145D+00  0.131686D+01  0.820473D+00  0.147942D+01
               156           157           158           159           160 
      1  -0.643344D+00 -0.841762D-01  0.494799D+01 -0.454883D+01 -0.712861D+00
      2   0.990821D+00 -0.125461D+01 -0.868690D+00 -0.264864D+00 -0.611551D+00
      3  -0.827512D+00  0.721956D+01  0.567018D+01  0.253813D+00 -0.142557D+01
               161           162           163           164           165 
      1  -0.161408D+01 -0.412345D+00 -0.178704D+01 -0.739336D+01 -0.289819D+01
      2  -0.349424D+00 -0.612492D+00 -0.166452D+02 -0.269430D+01  0.743839D+01
      3  -0.728294D+00  0.121098D+01 -0.404594D+01  0.334750D+01  0.438313D+01
               166           167           168           169           170 
      1  -0.109638D+02  0.863006D+01 -0.126760D+02 -0.394789D+01 -0.524403D+01
      2  -0.378781D+01  0.146453D+01 -0.404166D+01  0.415172D-01 -0.338562D+01
      3   0.109317D+02 -0.704373D+01  0.656394D+01  0.530172D+01  0.452029D+01
               171           172           173           174           175 
      1  -0.679471D+01 -0.108506D+01  0.114192D+01 -0.585443D+00  0.293167D+01
      2   0.159493D+01 -0.147037D+02 -0.374778D+01 -0.623086D+01 -0.542902D+01
      3   0.710523D+01  0.513290D+01  0.142774D+02  0.481461D+01  0.292372D+02
               176           177           178           179           180 
      1  -0.281014D+01 -0.280310D+01 -0.416922D+00  0.130320D+01  0.343220D+01
      2  -0.468665D+01 -0.117644D+02 -0.175407D+02 -0.111649D+02  0.172317D+02
      3  -0.174041D+02  0.129750D+01  0.720392D+01  0.212872D+01  0.119855D+02
               181           182           183           184           185 
      1   0.220138D+00 -0.228840D+01 -0.105932D+01 -0.138201D+01 -0.122394D+00
      2   0.198270D+02  0.109140D+01 -0.413755D+01  0.998671D+00  0.200620D+01
      3   0.689951D+01 -0.479612D+00 -0.160011D+01  0.230370D+01  0.976849D+00
               186           187           188           189           190 
      1   0.391711D+00 -0.108027D+01  0.213026D+01  0.101903D+01  0.420854D+01
      2  -0.366159D+00 -0.636025D+01 -0.600851D+00  0.406506D+01  0.354929D+00
      3  -0.934360D+00 -0.110824D+01 -0.528257D-01  0.111302D+01 -0.310629D+01
               191           192           193           194           195 
      1   0.432531D+01  0.363512D+01  0.486997D+01  0.590631D+01  0.543061D+01
      2  -0.544696D+00  0.289394D+01 -0.108502D+01  0.130039D+01  0.473638D+01
      3  -0.404052D+01 -0.325322D+01 -0.319265D+01 -0.445456D+01 -0.478621D+01
               196           197           198           199           200 
      1   0.436814D+01  0.613433D+01  0.764666D+01 -0.252387D+01  0.450002D+01
      2  -0.185101D+01  0.149853D+01  0.617321D+01 -0.504140D+00  0.150693D+01
      3  -0.221594D+01 -0.392888D+01 -0.499600D+01  0.162315D+01 -0.393320D+01
               201           202           203           204           205 
      1   0.851020D+00  0.581771D+01 -0.135381D+02  0.797697D+00  0.413583D-01
      2   0.170500D+01  0.322802D+01  0.434338D+00 -0.322124D+01 -0.652992D+00
      3   0.674411D+00 -0.995511D+00  0.119465D+02 -0.435254D+01 -0.418853D+00
               206           207           208           209           210 
      1   0.224772D+01 -0.106189D+01 -0.825195D+00 -0.393821D+00  0.377625D+00
      2  -0.872675D+00  0.487554D+00 -0.416160D+01  0.173154D+00  0.351917D+01
      3  -0.132206D+01  0.979401D+00 -0.228027D+01 -0.206801D+01  0.795828D+00
               211           212           213           214           215 
      1  -0.357261D+00 -0.124882D+01  0.273290D+00  0.790401D+00  0.398252D+01
      2  -0.216638D+00 -0.308585D+01  0.687995D+01  0.412708D+01  0.564134D+01
      3  -0.232958D+01 -0.211498D+01  0.409060D+01  0.105131D+01  0.526826D+01
               216           217           218           219           220 
      1  -0.276303D+01  0.100466D+01 -0.107600D+01  0.928032D+00 -0.137166D+01
      2  -0.242754D+02  0.217597D+01 -0.623222D+00  0.317335D+01 -0.355623D+00
      3  -0.668340D+01  0.630185D+01 -0.891798D+01 -0.691157D+00 -0.122155D+02
               221           222           223           224           225 
      1   0.348068D+01 -0.314775D+01  0.439553D+00  0.380230D+00  0.482677D-01
      2   0.185640D+01 -0.432499D+01  0.297819D+01 -0.196710D+01 -0.942011D+00
      3   0.259549D+02  0.279008D+00 -0.127642D+01 -0.419878D+00  0.167074D+01
               226           227           228           229           230 
      1   0.428783D-01  0.431157D-01 -0.604376D+00 -0.401534D+00  0.138912D+00
      2   0.108008D+02  0.362992D+01  0.861604D+01  0.582164D+01  0.516541D+01
      3  -0.973167D+01 -0.880554D+01 -0.349854D+01 -0.108777D+02 -0.789118D+01
               231           232           233           234 
      1  -0.140316D+01  0.204294D+00  0.103002D+01 -0.702603D+00
      2   0.731051D+01  0.897250D+01  0.506418D+01  0.835786D+01
      3  -0.429501D+01 -0.584252D+01 -0.640551D+01 -0.547683D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.188685D+01  0.571914D-01 -0.834126D+01  0.421281D+01 -0.364295D+01
      2   0.980776D+01 -0.213639D+01 -0.125219D+01 -0.222192D+01  0.631229D+01
      3  -0.116946D+02  0.207920D+01  0.959346D+01 -0.199089D+01 -0.266934D+01
      4   0.129142D+02  0.195516D+01 -0.272508D+01 -0.204203D+01 -0.766786D-01
      5   0.585538D+00 -0.394232D+01 -0.110010D+02  0.220120D+01 -0.149350D+01
      6  -0.987569D+00 -0.108426D+01  0.174852D+01  0.520421D+00  0.819521D+01
                 6             7             8             9            10 
      1   0.526146D+01 -0.244891D+02  0.101420D+01  0.922981D+01 -0.799284D+01
      2   0.442228D+00  0.143676D+01  0.382810D+01  0.819402D+01  0.499123D+01
      3  -0.570369D+01  0.230524D+02 -0.484230D+01 -0.174238D+02  0.300161D+01
      4  -0.127900D+01 -0.623193D+01  0.402471D+01  0.764236D+01  0.424768D+01
      5   0.305257D+01 -0.151986D+02  0.548862D+01  0.126907D+02  0.266140D+00
      6  -0.208095D+01  0.849414D+01 -0.223139D+01 -0.104060D+02  0.425792D+01
                11            12            13            14            15 
      1   0.748227D+01 -0.467574D+01  0.809820D+01 -0.114013D+02 -0.136196D+01
      2   0.597745D+00  0.549121D+01 -0.310749D+01  0.128814D+02  0.412447D+01
      3  -0.808002D+01 -0.815466D+00 -0.499071D+01 -0.148014D+01 -0.276251D+01
      4  -0.634693D+01  0.830067D+01 -0.845580D+01  0.146799D+01  0.734558D+01
      5   0.784258D+01 -0.526721D+01  0.184753D+01  0.485997D+01 -0.359279D+01
      6   0.471846D+01 -0.584620D+01  0.698241D+01  0.467228D+01 -0.379887D+01
                16            17            18            19            20 
      1  -0.814828D+01  0.693003D+01 -0.219279D+01 -0.508426D+02  0.147386D+02
      2   0.621653D+01 -0.160320D+01  0.122571D+01  0.197111D+02 -0.111627D+02
      3   0.193174D+01 -0.532683D+01  0.967087D+00  0.311315D+02 -0.357587D+01
      4   0.130930D+02  0.548515D+01 -0.418184D+01 -0.126271D+02 -0.863027D+01
      5  -0.588166D+01 -0.319683D+01  0.431390D+01 -0.104208D+01  0.149725D+01
      6  -0.564356D+01 -0.634121D+01  0.829732D+01  0.530422D+01 -0.170268D+01
                21            22            23            24            25 
      1   0.527619D+01  0.280798D+02  0.548046D+01 -0.314241D+01  0.182701D+02
      2  -0.344916D-01 -0.227273D+02 -0.214101D+02 -0.423861D+01 -0.141480D+01
      3  -0.524170D+01 -0.535255D+01  0.159296D+02  0.738102D+01 -0.168553D+02
      4   0.176814D+01 -0.150324D+01 -0.118351D+02 -0.128503D+01  0.299637D+01
      5  -0.384392D+01 -0.483298D+01 -0.264640D+01  0.404329D+01  0.341866D+01
      6  -0.601487D+01 -0.526458D+01 -0.887458D+01  0.693836D+01 -0.116330D+02
                26            27            28            29            30 
      1  -0.391816D+01 -0.238062D+02  0.678186D+02 -0.250447D+02 -0.143207D+02
      2  -0.538922D+01 -0.556420D+00 -0.358610D+02  0.125429D+02  0.270461D+01
      3   0.930738D+01  0.243626D+02 -0.319577D+02  0.125018D+02  0.116161D+02
      4   0.485947D+01  0.271254D+01  0.100724D+01  0.617760D+01  0.172766D+01
      5   0.386365D+01  0.109662D+02 -0.117084D+01  0.364092D+01  0.139817D+02
      6   0.131719D+02  0.128065D+02 -0.453316D+01  0.723383D+01  0.619093D+01
                31            32            33            34            35 
      1  -0.251223D+02  0.919384D+01  0.338343D+01 -0.148406D+02  0.551214D+01
      2   0.105182D+02  0.528372D+01  0.191964D+01  0.498547D+01 -0.181616D+01
      3   0.146041D+02 -0.144776D+02 -0.530307D+01  0.985517D+01 -0.369598D+01
      4   0.141401D+02  0.297910D+01 -0.804653D-01  0.144654D+01  0.107784D+01
      5  -0.144682D+01  0.323449D+01 -0.700467D+01  0.234886D+02 -0.487036D+01
      6   0.629252D+01 -0.548164D+01 -0.383683D+01  0.541731D+01  0.275577D+01
                36            37            38            39            40 
      1   0.106918D+02 -0.636638D+02  0.251472D+02 -0.120564D+02  0.347317D+02
      2  -0.113118D+02  0.394633D+02 -0.141362D+02  0.340383D+01 -0.256588D+02
      3   0.619998D+00  0.242006D+02 -0.110110D+02  0.865260D+01 -0.907290D+01
      4  -0.108957D+01  0.131991D+02  0.234509D+01  0.385099D+01 -0.678394D+01
      5  -0.530456D+01 -0.151867D+02  0.419971D+01 -0.231303D+02  0.530342D+01
      6  -0.653128D+01  0.826817D+00 -0.355780D+00 -0.285529D+01 -0.924766D+00
                41            42            43            44            45 
      1   0.674124D+01  0.776641D+01 -0.197579D+02  0.738647D+01 -0.298028D+02
      2  -0.211914D+02 -0.516103D+01  0.183148D+01 -0.610511D+01  0.286137D+02
      3   0.144502D+02 -0.260538D+01  0.179264D+02 -0.128137D+01  0.118911D+01
      4  -0.401550D+02 -0.848765D+01  0.262480D+01 -0.982505D+01  0.399339D+01
      5  -0.107145D+02  0.116172D+02 -0.524476D+02  0.111290D+02  0.372507D+02
      6  -0.264512D+01  0.271031D+01 -0.791003D+01  0.188611D+01  0.759510D+01
                46            47            48            49            50 
      1   0.741669D+01  0.756666D+01  0.928773D+01  0.723240D+01 -0.130949D+02
      2  -0.517363D+01 -0.330467D+01 -0.416971D+01 -0.896996D+00  0.973952D+01
      3  -0.224306D+01 -0.426199D+01 -0.511801D+01 -0.633541D+01  0.335543D+01
      4   0.157311D+02 -0.152947D+02 -0.696059D+01 -0.258820D+02  0.655672D+01
      5   0.117871D+02 -0.481292D+01 -0.144432D+02  0.146826D+01 -0.432205D+01
      6  -0.952381D+01 -0.286863D+01  0.115595D+02 -0.611549D+01  0.100594D+02
                51            52            53            54            55 
      1  -0.129697D+01  0.880947D+01 -0.484228D+01 -0.585635D+01 -0.117538D+02
      2   0.222606D+01 -0.457185D+01  0.408790D+01  0.680727D+00  0.928930D+01
      3  -0.929084D+00 -0.423762D+01  0.754382D+00  0.517562D+01  0.246448D+01
      4  -0.249915D+01 -0.117929D+01 -0.986202D+01  0.243156D+02  0.707239D+00
      5   0.122323D+02 -0.259518D+02  0.209976D+02 -0.683047D+01 -0.130982D+01
      6  -0.123388D+02  0.212030D+02 -0.231215D+02  0.107530D+02  0.774411D+01
                56            57            58            59            60 
      1   0.201510D+01 -0.130303D+01 -0.231262D+01  0.315967D+02 -0.157804D+01
      2  -0.677199D+01  0.125959D+01 -0.683286D+00 -0.535906D+02 -0.135308D+01
      3   0.475689D+01  0.434430D-01  0.299591D+01  0.219938D+02  0.293113D+01
      4   0.344083D+00  0.310638D+01  0.654430D+01  0.433767D+01 -0.710353D+00
      5   0.177708D+01 -0.229514D+00 -0.103525D+01 -0.123946D+01 -0.828053D-01
      6   0.133658D+00 -0.209972D+01 -0.353132D+00 -0.397437D+01  0.479179D+01
                61            62            63            64            65 
      1  -0.986864D+00 -0.225047D+01  0.117180D+02  0.472515D+01 -0.294174D+01
      2   0.112775D+01  0.629895D+01  0.780414D+01 -0.879319D+01 -0.546367D+00
      3  -0.140890D+00 -0.404849D+01 -0.195221D+02  0.406804D+01  0.348811D+01
      4  -0.312240D+00  0.570531D+00 -0.540181D+01 -0.706868D+01  0.999827D+01
      5   0.477615D+01 -0.204081D+01  0.595320D+00  0.179450D+02 -0.777573D+00
      6  -0.387819D+01  0.401531D+01 -0.178022D+02 -0.447708D+01  0.321708D+01
                66            67            68            69            70 
      1   0.169131D+02 -0.559389D+01  0.154683D+02 -0.283547D+00  0.245466D+02
      2  -0.105890D+02  0.803787D+00 -0.587408D+01 -0.138004D+01 -0.144274D+02
      3  -0.632409D+01  0.479010D+01 -0.959427D+01  0.166359D+01 -0.101192D+02
      4  -0.280289D+01  0.203535D+02 -0.174970D+02  0.350909D+01 -0.461925D+01
      5   0.110107D+02  0.432945D+00  0.527292D+01  0.521265D+01  0.176704D+02
      6   0.879257D+00  0.588597D+00 -0.455450D+01  0.217795D+01 -0.260251D+01
                71            72            73            74            75 
      1  -0.123535D+01  0.514862D+01 -0.121334D+01  0.665125D-01  0.404248D+01
      2  -0.189204D+01 -0.821522D+01 -0.564764D+01  0.142604D+01  0.430436D+01
      3   0.312738D+01  0.306660D+01  0.686098D+01 -0.149255D+01 -0.834684D+01
      4   0.275271D+01  0.392022D+01 -0.628170D+01  0.501218D+01  0.391064D+01
      5   0.528223D+01 -0.549886D+01 -0.836573D+01  0.366542D+01  0.131810D+02
      6   0.351027D+01  0.191432D+01  0.468552D+01 -0.249345D+01 -0.412242D+01
                76            77            78            79            80 
      1   0.429645D+01 -0.705919D+01 -0.771735D+01  0.607752D+01 -0.765960D+01
      2  -0.692381D+00  0.128052D+01 -0.604417D+00  0.608150D+01 -0.265735D+01
      3  -0.360407D+01  0.577867D+01  0.832176D+01 -0.121590D+02  0.103169D+02
      4   0.425875D+01 -0.218307D+01 -0.425490D+01  0.508698D+01 -0.428903D+01
      5   0.385570D+01 -0.429700D+01 -0.506977D+01  0.137818D+02 -0.642070D+01
      6  -0.295469D+01  0.602748D+01  0.106332D+02 -0.472341D+01  0.104895D+02
                81            82            83            84            85 
      1  -0.268655D+02  0.634760D+01 -0.141175D+01  0.639061D+00 -0.148190D+01
      2  -0.150290D+02 -0.201656D+01  0.278643D+01 -0.361802D+00  0.353412D+01
      3   0.418945D+02 -0.433104D+01 -0.137469D+01 -0.277259D+00 -0.205223D+01
      4  -0.786175D+01  0.117261D+02  0.129696D+02 -0.840960D+01  0.113711D+02
      5  -0.199094D+02 -0.737883D+01 -0.682857D+01  0.896209D+01 -0.554550D+01
      6   0.173354D+02 -0.809835D+01 -0.697307D+01  0.685146D+01 -0.718530D+01
                86            87            88            89            90 
      1  -0.108815D+02  0.529652D+01  0.125548D+00  0.495804D+01 -0.682032D+01
      2   0.141875D+02 -0.533862D+01  0.467464D-02 -0.450292D+01  0.394487D+00
      3  -0.330601D+01  0.420961D-01 -0.130222D+00 -0.455118D+00  0.642584D+01
      4   0.168980D+02 -0.961129D+01 -0.892487D+01 -0.100926D+02  0.103205D+02
      5  -0.787444D+01  0.591050D+01  0.797200D+01  0.756895D+01 -0.962565D+01
      6  -0.155470D+02  0.131280D+02  0.784877D+01  0.137302D+02 -0.140370D+02
                91            92            93            94            95 
      1  -0.247936D+01  0.811696D+00  0.173091D+01  0.961567D+00 -0.337915D+02
      2   0.411251D+01  0.288834D+01 -0.476570D+00  0.250215D+01  0.491990D+02
      3  -0.163314D+01 -0.370003D+01 -0.125434D+01 -0.346372D+01 -0.154075D+02
      4   0.307755D+01  0.101499D+02  0.130556D+01  0.901140D+01  0.203554D+02
      5   0.103081D+01  0.174147D+01  0.168139D+01  0.234286D+01  0.533660D+01
      6   0.372020D+01  0.888685D-01  0.776435D-01  0.141164D+01  0.165920D+02
                96            97            98            99           100 
      1  -0.689314D+01  0.331284D+01 -0.385282D+01 -0.118781D+01  0.427414D+01
      2   0.681922D+01 -0.306134D+01  0.410969D+01  0.315875D+01  0.115428D+01
      3   0.739213D-01 -0.251505D+00 -0.256867D+00 -0.197094D+01 -0.542841D+01
      4   0.346203D+01  0.122472D+01 -0.406854D-01  0.903078D+00  0.699265D+01
      5   0.344059D+01  0.225799D+01  0.120369D+01 -0.391270D+00  0.287924D+01
      6   0.960744D+01  0.338755D+01  0.507532D+01  0.161881D+01  0.823325D+00
               101           102           103           104           105 
      1   0.618583D+01  0.290713D+01  0.941614D+01 -0.735827D+01 -0.955733D+00
      2  -0.188237D+01 -0.121173D+01  0.459183D+01  0.320440D+02  0.197246D+01
      3  -0.430347D+01 -0.169540D+01 -0.140080D+02 -0.246858D+02 -0.101673D+01
      4   0.974853D+01  0.861305D+00  0.273892D+02  0.578183D+02  0.385279D+01
      5   0.141743D+00  0.307772D+01  0.784966D+00  0.486199D+01  0.783039D+01
      6   0.137551D+00  0.235931D+00  0.480456D+00  0.160815D+00  0.671522D+01
               106           107           108           109           110 
      1   0.512584D+01 -0.976133D+00  0.493780D+00  0.869322D+02 -0.132774D+02
      2  -0.122943D+01  0.264080D+01  0.445851D+00 -0.476910D+02  0.850472D+01
      3  -0.389641D+01 -0.166467D+01 -0.939631D+00 -0.392412D+02  0.477273D+01
      4   0.332544D+01  0.702393D+01  0.606228D+01 -0.232422D+01  0.105702D+02
      5   0.728203D+01  0.580768D+01 -0.921034D-01  0.275235D+02 -0.529734D+01
      6   0.244058D+01  0.672440D+01  0.138499D+01  0.126420D+01 -0.231968D+00
               111           112           113           114           115 
      1   0.204913D+02 -0.357777D+02  0.109617D+02 -0.596998D+01  0.400454D+02
      2  -0.117573D+02  0.205700D+02 -0.459656D+01  0.426124D+01 -0.223653D+02
      3  -0.873397D+01  0.152077D+02 -0.636517D+01  0.170875D+01 -0.176801D+02
      4  -0.259632D+01  0.118034D+02 -0.619785D+01  0.649991D+01 -0.967435D+00
      5   0.186027D+02 -0.923761D+01  0.774917D+01 -0.835875D+01  0.324702D+02
      6   0.214731D+01  0.154681D+01 -0.391974D+00  0.666682D+00  0.280465D+01
               116           117           118           119           120 
      1  -0.549362D+01  0.196626D+02  0.274449D+02 -0.281797D+01 -0.116189D+02
      2   0.463690D+01 -0.157418D+02 -0.190126D+02  0.194372D+01  0.928068D+01
      3   0.856721D+00 -0.392080D+01 -0.843232D+01  0.874252D+00  0.233821D+01
      4   0.862853D+01 -0.317527D+01  0.279567D+01  0.345580D+01 -0.240156D+01
      5  -0.682357D+01  0.138445D+02 -0.160389D+02 -0.234774D+00  0.200333D+02
      6   0.116304D+01  0.258712D+00 -0.315146D+01 -0.715304D+00  0.328427D+01
               121           122           123           124           125 
      1  -0.135082D+02  0.147965D+01  0.226827D+01 -0.233397D+02 -0.189874D+01
      2   0.997679D+01 -0.577282D+00 -0.394960D+01  0.218664D+02 -0.967323D+00
      3   0.353140D+01 -0.902371D+00  0.168133D+01  0.147324D+01  0.286606D+01
      4   0.615270D+01  0.177968D+01 -0.616438D+01 -0.870475D+01 -0.906878D+01
      5   0.431788D+01 -0.623867D+01 -0.714263D+01  0.434300D+02 -0.262898D+01
      6  -0.170179D+01 -0.122279D+00  0.322542D+01  0.781708D+01  0.418509D+01
               126           127           128           129           130 
      1   0.149080D+02  0.226428D+02 -0.677702D+01 -0.964808D+01 -0.444338D+01
      2  -0.267319D+02 -0.931912D+01  0.569122D-01  0.476804D+01 -0.217817D+01
      3   0.118239D+02 -0.133237D+02  0.672011D+01  0.488004D+01  0.662155D+01
      4   0.164968D+01 -0.237933D+02  0.178380D+02  0.102409D+02  0.161312D+02
      5  -0.568748D+02 -0.178637D+02  0.710196D+01  0.133489D+02  0.555042D+01
      6  -0.118819D+02  0.949095D+01 -0.474060D+01 -0.728150D+01 -0.472085D+01
               131           132           133           134           135 
      1   0.162604D+01  0.194560D+00 -0.121486D+02  0.815260D+00  0.361296D+01
      2   0.430977D+01  0.222296D+01  0.700512D+01  0.184355D+01 -0.433841D+01
      3  -0.593581D+01 -0.241752D+01  0.514350D+01 -0.265881D+01  0.725445D+00
      4  -0.140913D+02 -0.774296D+01  0.148437D+02 -0.120776D+02 -0.146140D+02
      5  -0.708501D+01 -0.679560D+01  0.191443D+02 -0.119266D+02 -0.158090D+02
      6   0.613805D+01  0.767216D+01 -0.116744D+02  0.110808D+02  0.963411D+01
               136           137           138           139           140 
      1   0.638001D+01 -0.506108D+01  0.321443D+01 -0.122357D+01 -0.520607D+01
      2  -0.241280D+01  0.988286D+00 -0.220470D+01 -0.297212D+01  0.978728D+01
      3  -0.396721D+01  0.407280D+01 -0.100973D+01  0.419568D+01 -0.458121D+01
      4  -0.138806D+02  0.130746D+02 -0.624345D+01  0.143782D+02 -0.168198D+02
      5   0.806763D+01 -0.509520D+01  0.104503D+02 -0.547665D+01  0.104749D+02
      6  -0.650507D+01  0.462794D+01 -0.590513D+01  0.724906D+01 -0.141811D+02
               141           142           143           144           145 
      1   0.312726D+01  0.428850D+01  0.550110D+01 -0.287477D+01  0.511942D+00
      2  -0.478012D+01 -0.242553D+01 -0.641920D+01 -0.310678D+01 -0.381918D+01
      3   0.165285D+01 -0.186297D+01  0.918102D+00  0.598155D+01  0.330724D+01
      4   0.109633D+02 -0.149398D+02  0.197757D+02 -0.183141D+02  0.515849D+00
      5  -0.882791D+01  0.186254D+02 -0.163459D+02  0.222271D+02  0.109195D+01
      6   0.137799D+02 -0.155458D+02  0.214015D+02 -0.230462D+02  0.951744D+00
               146           147           148           149           150 
      1  -0.802085D+00 -0.772512D+00  0.404060D+00 -0.472180D+01 -0.100298D+01
      2   0.163244D+01 -0.621565D+00  0.107836D+01  0.409009D+01  0.376322D+01
      3  -0.830351D+00  0.139408D+01 -0.148242D+01  0.631715D+00 -0.276025D+01
      4   0.240215D+01  0.174265D+01 -0.293805D+00  0.571766D+00 -0.462836D-01
      5  -0.402850D+00  0.586249D+01 -0.103605D+00  0.190705D+00  0.619719D-01
      6   0.104970D+01  0.138711D+01  0.311331D+00  0.275096D+01  0.225150D+01
               151           152           153           154           155 
      1  -0.919852D+00 -0.675840D+01 -0.199936D+02 -0.151622D+01 -0.333161D+01
      2  -0.146683D+01  0.451184D+01 -0.952526D+01  0.659999D+01  0.496620D+01
      3   0.238669D+01  0.224656D+01  0.295189D+02 -0.508377D+01 -0.163459D+01
      4   0.354155D+01  0.409684D+00  0.262368D+01  0.137632D+00  0.107491D+02
      5   0.371470D+01 -0.433584D+00 -0.666367D+00  0.226891D+00  0.925450D+00
      6   0.158726D+01  0.867583D+01  0.237684D+02 -0.531501D+00  0.477643D+00
               156           157           158           159           160 
      1  -0.424950D+00 -0.172020D+01 -0.494048D+02 -0.252473D+01 -0.201816D-01
      2  -0.125663D+00  0.170004D+01  0.826228D+02  0.280838D+01  0.112138D+00
      3   0.550613D+00  0.201661D-01 -0.332180D+02 -0.283649D+00 -0.919561D-01
      4  -0.205699D+00  0.760496D+01 -0.296684D+01 -0.384392D-01 -0.968283D+00
      5   0.164377D+01  0.341489D+00  0.759487D+00 -0.268243D+00  0.543991D+00
      6   0.829629D+00  0.371803D+00  0.716824D+01  0.781741D+01  0.708652D+00
               161           162           163           164           165 
      1   0.279557D+01 -0.639762D+01  0.205846D+02 -0.234942D+01 -0.597280D+01
      2  -0.540543D+01  0.596918D+01 -0.324185D+01  0.108380D+02  0.917032D+01
      3   0.260986D+01  0.428442D+00 -0.173427D+02 -0.848856D+01 -0.319751D+01
      4   0.876740D+00 -0.606385D-01 -0.534364D+01 -0.109125D+02  0.430697D+00
      5  -0.622081D+00  0.393991D-01 -0.396325D+01 -0.176305D+01 -0.161501D+02
      6   0.975372D+01  0.108549D+01  0.219513D+01 -0.120380D+02 -0.370439D+01
               166           167           168           169           170 
      1  -0.263159D+01 -0.729662D+00 -0.643764D+00 -0.757905D+01  0.816732D+00
      2   0.161842D+02 -0.746844D+01  0.163405D+02  0.111586D+02  0.120376D+02
      3  -0.135526D+02  0.819810D+01 -0.156967D+02 -0.357958D+01 -0.128543D+02
      4  -0.185598D+02  0.245968D+02 -0.138708D+02  0.386572D+00 -0.767102D+01
      5  -0.382582D+01 -0.207152D+02 -0.149647D+02 -0.231279D+02 -0.115201D+02
      6  -0.166447D+02  0.179309D+02 -0.104195D+02 -0.507059D+01 -0.655503D+01
               171           172           173           174           175 
      1  -0.110076D+02 -0.602425D+01 -0.109799D+02 -0.247994D+02 -0.164068D+02
      2   0.998970D+01 -0.100256D+01  0.102994D+02  0.113214D+02  0.167604D+02
      3   0.101788D+01  0.702680D+01  0.680502D+00  0.134781D+02 -0.353677D+00
      4  -0.866327D+01 -0.966895D+01 -0.284474D+02 -0.697613D+01 -0.461550D+02
      5  -0.957047D+01 -0.271746D+02 -0.703904D+01 -0.998237D+01 -0.113755D+02
      6  -0.136265D+02  0.766798D-01  0.238626D+01 -0.415518D+00  0.357155D+01
               176           177           178           179           180 
      1  -0.267507D+02 -0.108144D+02 -0.321386D+02 -0.109188D+02 -0.869203D+01
      2   0.393437D+01  0.242798D+01  0.117663D+02  0.177605D+01  0.144054D+02
      3   0.228163D+02  0.838637D+01  0.203723D+02  0.914272D+01 -0.571336D+01
      4   0.369880D+02 -0.299619D+01 -0.114146D+02 -0.458666D+01 -0.195012D+02
      5  -0.127147D+01 -0.192626D+02 -0.170790D+02 -0.188894D+02  0.300823D+02
      6  -0.470274D+01 -0.122076D+01 -0.155647D+01  0.138548D+01  0.160117D+01
               181           182           183           184           185 
      1  -0.137628D+02 -0.237741D+01  0.109600D+02 -0.681338D+00 -0.338846D+01
      2   0.399665D+01 -0.145994D+00  0.137008D+01 -0.121022D+01  0.279127D+01
      3   0.976615D+01  0.252340D+01 -0.123300D+02  0.189156D+01  0.597188D+00
      4   0.792280D+01  0.147906D+01 -0.920926D+00  0.378894D+01 -0.139278D+01
      5  -0.126647D+02  0.168974D+00  0.288482D+01 -0.134785D+00  0.783080D+00
      6  -0.205822D+01 -0.365333D+01  0.516569D+01 -0.122468D+01 -0.280869D+01
               186           187           188           189           190 
      1   0.165091D+01  0.744382D+01  0.152587D+01 -0.689097D+01  0.800806D+01
      2  -0.238298D+01  0.534900D+00 -0.118158D+01 -0.317528D+01 -0.128556D+02
      3   0.732075D+00 -0.797872D+01 -0.344292D+00  0.100662D+02  0.484749D+01
      4   0.111275D+01 -0.111417D+01 -0.671789D+00  0.270645D+01  0.443243D+01
      5   0.240234D+01  0.676461D+01  0.166268D+01 -0.316194D+01  0.203128D+02
      6   0.370964D+01  0.323384D+01  0.301556D+01 -0.156095D+01  0.379404D+01
               191           192           193           194           195 
      1   0.341771D+01  0.335896D+01  0.494783D+01 -0.318831D+00 -0.307274D+01
      2  -0.557472D+01 -0.128995D+02 -0.955654D+01 -0.301627D+01 -0.116852D+02
      3   0.215701D+01  0.954055D+01  0.460871D+01  0.333511D+01  0.147579D+02
      4   0.660389D+01  0.268490D+01  0.860672D+01  0.572799D+01  0.828280D+01
      5   0.598884D+01  0.221096D+02  0.133333D+02  0.115223D+02  0.179365D+02
      6   0.619225D+01  0.315390D+01  0.812223D+01  0.797390D+01  0.105973D+02
               196           197           198           199           200 
      1   0.253471D+01 -0.177159D+01 -0.697000D+01  0.423744D+01 -0.354081D+01
      2  -0.129192D+02 -0.653891D+01 -0.213954D+02 -0.868384D-01 -0.307445D+01
      3   0.103845D+02  0.831050D+01  0.283654D+02 -0.415061D+01  0.661526D+01
      4   0.271540D+01  0.558926D+01  0.610079D+01 -0.123740D+02  0.155904D+02
      5   0.209233D+02  0.857037D+01  0.291601D+02  0.888836D+01 -0.774338D+01
      6   0.412708D+01  0.790118D+01  0.819206D+01 -0.709002D+01  0.945937D+01
               201           202           203           204           205 
      1   0.314937D+00 -0.227280D+01 -0.116217D+02  0.711234D+01 -0.676673D+00
      2  -0.205487D+01 -0.604769D+01  0.247037D+02 -0.526312D+01 -0.194194D+01
      3   0.173993D+01  0.832049D+01 -0.130820D+02 -0.184922D+01  0.261862D+01
      4  -0.521644D+01  0.193392D+02 -0.333172D+02  0.117343D+02 -0.175905D+01
      5   0.919493D+01 -0.943220D+01  0.154290D+02 -0.928365D+01  0.655445D+01
      6  -0.440268D+01  0.124444D+02 -0.296119D+02  0.166702D+02 -0.345232D+01
               206           207           208           209           210 
      1   0.399611D+01 -0.246274D+01  0.408954D+01  0.405043D+01 -0.644362D+01
      2  -0.746117D+00  0.270698D+00 -0.489141D+01 -0.262079D+01  0.506650D+01
      3  -0.324999D+01  0.219204D+01  0.801866D+00 -0.142965D+01  0.137712D+01
      4   0.406715D+01 -0.500546D+01  0.403723D+01  0.420819D+01 -0.110866D+01
      5  -0.498240D+01  0.597460D+01 -0.775908D+01 -0.171124D+01  0.113703D+02
      6   0.104032D+02 -0.606101D+01 -0.978086D+00 -0.464145D+00  0.211635D+00
               211           212           213           214           215 
      1   0.774739D+01  0.211658D+01  0.567526D+00 -0.128052D+02  0.146254D+01
      2  -0.562248D+01 -0.118546D+01  0.303130D+01  0.120774D+02  0.234314D+01
      3  -0.212491D+01 -0.931118D+00 -0.359882D+01  0.727821D+00 -0.380568D+01
      4   0.859514D+01  0.260694D+01 -0.747371D+01 -0.175636D+01 -0.872522D+01
      5  -0.476925D+01 -0.724425D+01  0.131445D+02  0.235033D+02  0.102722D+02
      6  -0.185876D+01 -0.220670D+01  0.502913D+01  0.682627D+00  0.487575D+01
               216           217           218           219           220 
      1   0.129183D+01  0.235158D+02 -0.136627D+02  0.122818D+01 -0.249836D+02
      2  -0.190607D+02 -0.693570D+01  0.302209D+01 -0.534548D+00  0.328654D+01
      3   0.177688D+02 -0.165802D+02  0.106406D+02 -0.693633D+00  0.216971D+02
      4   0.105208D+02 -0.198270D+02  0.227246D+02  0.159243D+01  0.406570D+02
      5  -0.482478D+02 -0.576360D+00  0.253336D+01  0.532490D+01  0.619346D+01
      6  -0.180885D+01  0.203511D+01 -0.217306D+01 -0.104800D+01 -0.428817D+01
               221           222           223           224           225 
      1   0.132830D+02  0.234855D+01  0.515355D+01  0.711733D+00  0.354148D+01
      2   0.111865D+02 -0.165104D+01 -0.154439D+01 -0.803040D+00 -0.155641D+01
      3  -0.244694D+02 -0.697517D+00 -0.360916D+01  0.913069D-01 -0.198507D+01
      4  -0.556203D+02 -0.140655D+01  0.710966D+00  0.918104D+00 -0.511668D+01
      5  -0.271888D+01 -0.812259D+01  0.940738D+01 -0.551449D+01 -0.285456D+01
      6   0.700042D+01  0.581041D+01 -0.294239D+01  0.524843D+01  0.291776D+00
               226           227           228           229           230 
      1   0.582911D+02  0.158683D+02  0.165034D+02  0.315156D+02  0.155099D+02
      2  -0.282948D+02 -0.765249D+01 -0.809207D+01 -0.148993D+02 -0.361530D+01
      3  -0.299963D+02 -0.821578D+01 -0.841136D+01 -0.166163D+02 -0.118946D+02
      4   0.185187D+02  0.161068D+02  0.638257D+01  0.264438D+02  0.142424D+02
      5   0.172572D+02  0.576160D+01  0.138529D+02  0.924261D+01  0.738631D+01
      6   0.764349D+00 -0.228374D+00 -0.270615D-01  0.711481D+00  0.177107D+01
               231           232           233           234 
      1   0.738838D+01  0.338715D+02  0.725805D+01  0.131717D+02
      2  -0.278760D+01 -0.170823D+02 -0.297899D+01 -0.975854D+01
      3  -0.460077D+01 -0.167892D+02 -0.427906D+01 -0.341316D+01
      4   0.855238D+01  0.108960D+02  0.108509D+02  0.951424D+01
      5   0.118919D+02  0.208511D+02  0.914295D+01  0.150601D+02
      6   0.228953D+01  0.165403D+01  0.167197D+01  0.156292D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x         -0.560239D-01     -0.142398D+00     -0.474990D+00
   y          0.120008D+00      0.305031D+00      0.101747D+01
   z          0.316408D-01      0.804228D-01      0.268262D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.139877D+03      0.207276D+02      0.230626D+02
   yx        -0.460708D+01     -0.682699D+00     -0.759606D+00
   yy         0.107772D+03      0.159701D+02      0.177692D+02
   zx        -0.274845D+01     -0.407278D+00     -0.453158D+00
   zy         0.131010D+01      0.194137D+00      0.216007D+00
   zz         0.963721D+02      0.142809D+02      0.158896D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121097D+03      0.179447D+02      0.199662D+02
   aniso      0.412549D+02      0.611334D+01      0.680201D+01
   xx         0.146894D+03      0.217674D+02      0.242195D+02
   yx        -0.522614D+01     -0.774434D+00     -0.861674D+00
   yy         0.113871D+03      0.168740D+02      0.187748D+02
   zx        -0.263224D+01     -0.390057D+00     -0.433997D+00
   zy         0.133811D+01      0.198288D+00      0.220625D+00
   zz         0.102526D+03      0.151927D+02      0.169042D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.09028938          1.55408846         -1.55480277
     6          1.51912016          1.88038295          0.78026374
     6         -2.26505750         -0.19089875         -1.36921840
     6         -3.22307634         -0.94888542          0.83569022
     6         -5.47790768         -2.65023376          1.02036778
     6         -2.08081433         -0.05693366          3.29737629
     6          0.77968882          0.38819100          3.12130542
     6          2.63006188          0.63696785         -1.54585729
     1         -0.42767453          3.22683563         -2.69382575
     1          2.19215574          3.77914091          1.14537760
     1         -3.11826062         -0.83922497         -3.12003460
     1         -6.23286869         -3.12015895         -0.83842673
     1         -6.98334267         -1.75791784          2.12456048
     1         -5.00164234         -4.41184845          1.99526994
     1         -2.48106943         -1.43267109          4.78652495
     1         -3.03233449          1.69196905          3.87473636
     1          1.73023415         -1.44288003          3.13811791
     1          1.43155457          1.38503185          4.80583392
     6          3.18573896         -2.16091869         -1.56483670
     6          4.50580920          2.18636699         -3.04430493
     1          1.69282199         -3.26196980         -0.67688417
     1          4.95967622         -2.56628422         -0.58485758
     1          3.37844460         -2.83289166         -3.50857778
     1          4.03878456          4.19455013         -2.98633225
     1          4.53629951          1.59956664         -5.02558591
     1          6.41757635          1.95998354         -2.29178830

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136168D+00      0.346105D+00      0.115448D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.125761D+03      0.186358D+02      0.207351D+02
   yx         0.120306D+02      0.178276D+01      0.198358D+01
   yy         0.101266D+03      0.150061D+02      0.166965D+02
   zx        -0.149505D+02     -0.221543D+01     -0.246500D+01
   zy        -0.413543D+01     -0.612808D+00     -0.681841D+00
   zz         0.116994D+03      0.173367D+02      0.192897D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121097D+03      0.179447D+02      0.199662D+02
   aniso      0.412549D+02      0.611334D+01      0.680201D+01
   xx         0.132327D+03      0.196088D+02      0.218178D+02
   yx         0.119155D+02      0.176570D+01      0.196460D+01
   yy         0.107274D+03      0.158963D+02      0.176871D+02
   zx        -0.156509D+02     -0.231922D+01     -0.258048D+01
   zy        -0.429322D+01     -0.636190D+00     -0.707856D+00
   zz         0.123690D+03      0.183290D+02      0.203937D+02

 ----------------------------------------------------------------------
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 THESE ARE THE TIMES THAT TRY MENS SOULS.
 THE SUMMER SOLDIER AND THE SUNSHINE PATRIOT WILL IN THIS CRISIS,
 SHRINK FROM THE SERVICE OF HIS COUNTRY.  BUT HE THAT STANDS NOW,
 DESERVES THE LOVE AND THANKS OF MAN AND WOMAN.
 TYRANNY, LIKE HELL, IS NOT EASILY CONQUERED,
 YET WE HAVE THIS CONSOLATION WITH US,
 THAT THE HARDER THE CONFLICT, THE MORE GLORIOUS THE TRIUMPH.
 WHAT WE OBTAIN TOO CHEAP, WE ESTEEM TOO LIGHTLY, 
 'TIS DEARNESS ONLY THAT GIVES EVERYTHING ITS VALUE.

                                              -- TOM PAINE
 Job cpu time:       0 days 16 hours 11 minutes 34.0 seconds.
 Elapsed time:       0 days  1 hours  0 minutes 48.8 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 20:41:29 2021.
